# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:46:39+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 139 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
"1001381","3.96","0.02","3.96","0.02","19.82","0.04","90","","90","","120","","269.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium uranium(VI) oxide (1/1/3.5)","","- K O3.5 U -","- K O3.5 U1.002 -","- K3 O10.5 U3.006 -","3","0.0833333","","Jove, J; Cousson, A; Gasperin, M","Synthesis and crystal structure of K~2~ U~2~ O~7~ and Moessbauer (^237^Np) studies of K~2~ Np~2~ O~7~ and Ca Np O~4~","Journal of the Less-Common Metals","1988","139","","345","350","10.1016/0022-5088(88)90016-1","","","","","","0.0445","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011002","7.69","","7.69","","5.1","","90","","90","","90","","301.6","","","","","","","","","","","","synthetic","4","P -4 21 m","P -4 2ab","113","","Dicalcium dialuminium silicate trioxide","Gehlenite","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Raaz, F","Ueber den Feinbau des Gehlenit. Ein Beitrag zur Kenntnis der Melilithe","Sitzungsberichte der Akademie der Wissenschaften in Wien, Mathematisch- Naturwissenschaftliche Klasse, Abteilung 1: Mineralogie, Biologie, Erdkunde","1930","139","","645","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1200016","8.684","0.001","5.078","0.001","9.736","0.002","90","","94.54","0.01","90","","428","","","","","","","","","","","","Langesundfjord, Norway","3","P 1 21/n 1","-P 2yn","14","","Aluminium hydroxide","Gibbsite","- Al H3 O3 -","- Al H3 O3 -","- Al8 H24 O24 -","8","2","","Saalfeld, H; Wedde, M","Refinement of the crystal structure of gibbsite, Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","139","","129","135","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1510810","9.697","","5.577","","25.64","","90","","90","","90","","1386.62","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Pr Rh4.8 B2","","- B2 Pr Rh4.8 -","- B2 Pr Rh4.8 -","- B24 Pr12 Rh57.6 -","12","0.375","","Kobayashi, T.; Higashi, I.; Takei, H.; Shishido, T.","Crystal Structure of Pr Rh4.8 B2","Journal of the Less-Common Metals","1988","139","","211","220","10.1016/0022-5088(88)90002-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511129","5.169","","8.924","","10.138","","90","","91.39","","90","","467.51","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li Fe (B O3)","","- B Fe Li O3 -","- B Fe Li O3 -","- B8 Fe8 Li8 O24 -","8","1","","le Gal la Salle, A.; Guyomard, D.; Verbaere, A.; Piffard, Y.; An, Y.; Portal, R.; Mosbah, A.; Legagneur, V.","Li M B O3 (M = Mn, Fe, Co): synthesis, crystal structure and lithium deinsertion/insertion properties","Solid State Ionics","2001","139","","37","46","10.1016/S0167-2738(00)00813-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511217","8.172","","8.172","","3.1473","","90","","90","","120","","182.023","","","","","","","","","","","","","4","P -6","P -6","174","","Li Mn (B O3)","","- B Li Mn O3 -","- B Li Mn O3 -","- B3 Li3 Mn3 O9 -","3","0.5","","Legagneur, V.; Mosbah, A.; An, Y.; Piffard, Y.; Verbaere, A.; le Gal la Salle, A.; Guyomard, D.; Portal, R.","Li M B O3 (M = Mn, Fe, Co): synthesis, crystal structure and lithium deinsertion/insertion properties","Solid State Ionics","2001","139","","37","46","10.1016/S0167-2738(00)00813-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513595","23.0762","0.0015","12.6124","0.0006","17.5274","0.0013","90","","116.601","0.001","90","","4561.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cd2 Cl2 N12 O10 -","- C38 H34 Cd2 Cl2 N12 O10 -","- C152 H136 Cd8 Cl8 N48 O40 -","4","0.5","","Jana, Atanu; Sukul, Pradip K.; Mandal, Sushil K.; Konar, Saugata; Ray, Sangita; Das, Kinsuk; Golen, James A.; Rheingold, Arnold L.; Mondal, Sudipa; Mondal, Tapan K.; Khuda-Bukhsh, Anisur R; Kar, Susanta K.","A novel 2,6-diformyl-4-methylphenol based chemosensor for Zn(II) ions by ratiometric displacement of Cd(II) ions and its application for cell imaging on human melanoma cancer cells.","The Analyst","2014","139","2","495","504","10.1039/c3an01750h","","","0.71073","MoKα","","0.0341","0.0237","","","0.0581","0.0627","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516973","5.3994","0.0012","14.277","0.004","20.499","0.005","90","","90","","90","","1580.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Mukherjee, Manjira; Pal, Siddhartha; Lohar, Somenath; Sen, Buddhadeb; Sen, Supriti; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra","A napthelene-pyrazol conjugate: Al(iii) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution.","The Analyst","2014","139","19","4828","4835","10.1039/c4an01039f","","","0.71073","MoKα","","0.2337","0.0683","","","0.114","0.1656","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1523901","7.4954","","7.4954","","7.4954","","90","","90","","90","","421.099","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 U -","- Ir2 U -","- Ir16 U8 -","8","0.0416667","","Itie, J.P.; Staun Olsen, J.; Gerward, L.; Spirlet, J.C.; Benedict, U.","High pressure X-ray diffraction on U X2 compounds","Physica B and C (Netherland) (79,1975-)","1986","139","","330","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523911","5.348","","5.348","","2.937","","90","","90","","90","","84.001","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Ga Sb)","","- Ga Sb -","- Ga Sb -","- Ga2 Sb2 -","2","0.0625","","Jamieson, J.C.","Crystal structures at high pressures of metallic modifications of compounds of indium, gallium, and aluminium","Science","1963","139","","845","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526451","9.7248","","9.7248","","7.1895","","90","","90","","120","","588.831","","","","","","","","","","","","","3","P -3","-P 3","147","","La9.33 (Si O4)6 O2","","- La9.33 O26 Si6 -","- La9.26 O25.96 Si6 -","- La9.26 O25.96 Si6 -","1","0.166667","","Sansom, J.E.H.; Richings, D.; Slater, P.R.","A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26","Solid State Ionics","2001","139","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","147638","2020-10-21","18:00:00",""
"1526452","9.7083","","9.7083","","7.2377","","90","","90","","120","","590.769","","","","","","","","","","","","","4","P -3","-P 3","147","","(La6.9 Sr3.1) (Si O4)6 O2","","- La6.9 O26 Si6 Sr3.1 -","- La6.9 O26 Si6 Sr3.1 -","- La6.9 O26 Si6 Sr3.1 -","1","0.166667","","Sansom, J.E.H.; Richings, D.; Slater, P.R.","A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26","Solid State Ionics","2001","139","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","147640","2020-10-21","18:00:00",""
"1528389","5.93","","5.93","","6.98","","90","","90","","90","","245.451","","","","","","","","","","","","","1","P 43 21 2","P 4nw 2abw","96","","","","- Ge -","- Ge -","- Ge12 -","12","1.5","","Bundy, F.P.; Kasper, J.S.","A new dense form of solid germanium","Science","1963","139","","340","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530679","12.608","","12.608","","4.012","","90","","90","","90","","637.754","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Nb7.6 U2.4 Ba5.2 K.8 O30","","- Ba5.2 K0.8 Nb7.6 O30 U2.4 -","- Ba5.2 K0.8 Nb7.6 O30 U2.4 -","- Ba5.2 K0.8 Nb7.6 O30 U2.4 -","1","0.125","","Saine, M.C.","Synthese et structure d'un bronze oxygene quadratique contenant de l'uranium a la valence six","Journal of the Less-Common Metals","1988","139","","315","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","155818","2020-10-21","18:00:00",""
"1537452","5.03","","5.9","","5.75","","90","","100","","90","","168.05","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Xe F4","","- F4 Xe -","- F4 Xe -","- F8 Xe2 -","2","0.5","","Ibers, J.A.; Hamilton, W.C.","Xenon Tetrafluoride: Crystal Structure","Science","1963","139","","106","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537678","6.133","","6.133","","6.133","","90","","90","","90","","230.685","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb Se -","- Pb Se -","- Pb4 Se4 -","4","0.0208333","","Chattopadhyay, T.K.; Grosshans, W.; von Schnering, H.G.; Holzapfel, W.B.","High pressure X-ray diffraction study on the structural phase transitions in PbS, PbSe and PbTe with synchrotron radiation","Physica B and C (Netherland) (79,1975-)","1986","139","","356","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537681","5.77","","5.77","","5.77","","90","","90","","90","","192.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- In Te -","- In Te -","- In4 Te4 -","4","0.0208333","","Chattopadhyay, T.K.; Santandrea, R.P.; von Schnering, H.G.","A new high pressure phase of InTe","Physica B and C (Netherland) (79,1975-)","1986","139","","353","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538565","5.71","","5.71","","5.71","","90","","90","","90","","186.169","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- In P -","- In P -","- In4 P4 -","4","0.0208333","","Jamieson, J.C.","Crystal structures at high pressures of metallic modifications of compounds of indium, gallium, and aluminum","Science","1963","139","","845","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538566","5.537","","5.537","","2.97","","90","","90","","90","","91.055","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- In Sb -","- In Sb -","- In2 Sb2 -","2","0.0625","","Jamieson, J.C.","Crystal structures at high pressures of metallic modifications of compounds of indium, gallium, and aluminium","Science","1963","139","","845","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541016","6.07735","","6.07735","","6.07735","","90","","90","","90","","224.462","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Pb3 Se5 Sn2)0.8","","- Pb2.4 Se4 Sn1.6 -","- Pb2.4 Se4 Sn1.6 -","- Pb2.4 Se4 Sn1.6 -","1","0.00520833","","Szczerbakow, A.; Berger, H.","Investigation of the composition of vapour-grown Pb1-x Snx Se crystals ( x<= 0.4) by means of lattice parameter measurements","Journal of Crystal Growth","1994","139","","172","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","172222","2020-10-21","18:00:00",""
"4125331","8.3954","0.0008","12.6294","0.0012","29.103","0.003","96.201","0.002","94.663","0.003","90.016","0.002","3057.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N4 O3 -","- C34 H41 N4 O3 -","- C136 H164 N16 O12 -","4","2","","Goulet-Hanssens, Alexis; Utecht, Manuel; Mutruc, Dragos; Titov, Evgenii; Schwarz, Jutta; Grubert, Lutz; Bléger, David; Saalfrank, Peter; Hecht, Stefan","Electrocatalytic Z →E Isomerization of Azobenzenes.","Journal of the American Chemical Society","2017","139","1","335","341","10.1021/jacs.6b10822","","","0.71073","MoKα","","0.1205","0.0729","","","0.1744","0.1983","","","","","","1.029","","","","has coordinates","193467","2020-10-21","18:00:00",""
"4125332","5.9674","0.0003","26.9049","0.0015","12.112","0.0007","90","","90.059","0.004","90","","1944.61","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","xj-04-076","hartwig133","","- C21 H14 F5 N O3 S -","- C21 H14 F5 N O3 S -","- C84 H56 F20 N4 O12 S4 -","4","2","","Jiang, Xingyu; Beiger, Jason J.; Hartwig, John F.","Stereodivergent Allylic Substitutions with Aryl Acetic Acid Esters by Synergistic Iridium and Lewis Base Catalysis.","Journal of the American Chemical Society","2017","139","1","87","90","10.1021/jacs.6b11692","","","1.54178","CuKα","","0.0548","0.0526","","","0.1194","0.1207","","","","","","1.056","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125333","12.2364","0.0013","16.4272","0.0017","24.439","0.003","90","","94.911","0.002","90","","4894.4","0.9","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C55 H67 Co N3 -","- C55 H67 Co N3 -","- C220 H268 Co4 N12 -","4","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1431","0.056","","","0.1182","0.1531","","","","","","1.003","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125334","11.283","0.005","15.718","0.006","12.919","0.005","90","","101.482","0.007","90","","2245.3","1.6","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C51 H63 Co N3 -","- C51 H63 Co N3 -","- C102 H126 Co2 N6 -","2","0.5","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1306","0.0577","","","0.1016","0.1272","","","","","","0.997","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125335","10.0663","0.0009","10.6374","0.001","19.5657","0.0017","85.977","0.002","85.038","0.002","73.507","0.002","1999.1","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H66 Co N2 Si2 -","- C41 H66 Co N2 Si2 -","- C82 H132 Co2 N4 Si4 -","2","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.0468","0.0368","","","0.0949","0.0995","","","","","","1.027","","","","has coordinates","193462","2020-10-21","18:00:00",""
"4125336","11.5458","0.0008","16.5702","0.0012","16.8885","0.0012","90","","92.912","0.002","90","","3226.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H51 N5 O7 -","- C29 H51 N5 O7 -","- C116 H204 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0261","0.0258","","","0.0657","0.0659","","","","","","1.015","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125337","11.7505","0.0008","15.361","0.0011","16.1615","0.0011","90","","90","","90","","2917.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 N5 O7 -","- C25 H43 N5 O7 -","- C100 H172 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0251","0.0244","","","0.063","0.0635","","","","","","1.043","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125338","11.9119","0.0013","15.619","0.0017","16.4598","0.0017","86.532","0.002","89.527","0.002","88.976","0.002","3056.2","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C104 H180 N20 O28 -","4","4","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.081","0.0526","","","0.1115","0.1219","","","","","","1.063","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125339","12.4001","0.0019","15.333","0.002","16.44","0.002","90","","90","","90","","3125.7","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 N6 O6 -","- C28 H50 N6 O6 -","- C112 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0659","0.0507","","","0.1139","0.1212","","","","","","1.065","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125340","9.6322","0.0007","10.7847","0.0008","30.96","0.002","90","","90","","90","","3216.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 N6 O6 -","- C27 H50 N6 O6 -","- C108 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0511","0.0466","","","0.1179","0.1207","","","","","","1.204","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125341","18.9459","0.0013","10.2874","0.0007","20.3541","0.0014","90","","114.654","0.002","90","","3605.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N6 O6 -","- C36 H50 N6 O6 -","- C144 H200 N24 O24 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.035","","","0.09","0.0918","","","","","","1.024","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125342","16.3898","0.0011","18.3004","0.0013","24.0255","0.0017","90","","90","","90","","7206.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N5 O7.5 -","- C34 H53 N5 O7.5 -","- C272 H424 N40 O60 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0731","0.0445","","","0.1004","0.118","","","","","","1.01","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125343","11.7452","0.0008","16.8106","0.0012","15.9153","0.0011","90","","91.065","0.002","90","","3141.8","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 N5 O7 -","- C27 H47 N5 O7 -","- C108 H188 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0361","0.0342","","","0.0925","0.0944","","","","","","1.026","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125344","9.4965","0.0007","10.4398","0.0007","31.132","0.002","90","","90","","90","","3086.5","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N6 O6 -","- C26 H46 N6 O6 -","- C104 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.032","","","0.0751","0.0764","","","","","","1.025","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125345","16.145","0.0011","16.2685","0.0011","21.7425","0.0015","90","","90","","90","","5710.8","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C192 H344 N40 O56 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.1062","0.0592","","","0.126","0.1479","","","","","","1.048","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125346","9.6442","0.0007","10.6337","0.0007","28.723","0.002","90","","90","","90","","2945.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N5 O7 -","- C25 H45 N5 O7 -","- C100 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0245","0.0241","","","0.0625","0.0629","","","","","","1.048","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125347","9.5116","0.0004","10.8943","0.0004","30.9331","0.0011","90","","90","","90","","3205.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C120 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.512","Synchrotron","","0.0317","0.0309","","","0.0777","0.0782","","","","","","1.054","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125348","5.909","0.0004","24.4001","0.0017","10.6197","0.0007","90","","102.609","0.003","90","","1494.22","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C52 H94 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0303","0.0292","","","0.0738","0.0743","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125349","9.7528","0.0007","10.8277","0.0008","29.439","0.002","90","","90","","90","","3108.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O7 -","- C29 H45 N5 O7 -","- C116 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0235","0.0232","","","0.0571","0.0573","","","","","","1.052","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125350","9.9289","0.0007","14.2705","0.001","11.0675","0.0008","90","","98.876","0.007","90","","1549.38","0.19","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C52 H90 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0656","0.0611","","","0.1615","0.1675","","","","","","1.05","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125351","5.8475","0.0002","11.4463","0.0004","26.2716","0.0008","83.314","0.002","84.006","0.002","78.952","0.002","1708","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H49 N5 O7 -","- C32 H49 N5 O7 -","- C64 H98 N10 O14 -","2","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0606","0.042","","","0.0815","0.0879","","","","","","1.017","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125352","9.5263","0.0003","10.9728","0.0004","28.9779","0.001","90","","90","","90","","3029.07","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C104 H188 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0479","0.0383","","","0.0893","0.0943","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125353","11.0991","0.0003","9.255","0.0003","16.0095","0.0011","90","","100.869","0.007","90","","1615.03","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C60 H92 N12 O12 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0507","0.0441","","","0.1039","0.1137","","","","","","1.103","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125354","12.0174","0.0008","9.4647","0.0007","13.6217","0.001","90","","106.691","0.003","90","","1484.07","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H46 N4 O7 -","- C27 H46 N4 O7 -","- C54 H92 N8 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0518","0.0387","","","0.0848","0.0918","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125355","10.2959","0.0007","10.4853","0.0007","14.9355","0.001","94.868","0.002","100.913","0.002","90.106","0.003","1577.24","0.18","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H46 N6 O6 S -","- C28 H46 N6 O6 S -","- C56 H92 N12 O12 S2 -","2","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0751","0.0628","","","0.1551","0.1684","","","","","","1.017","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125356","11.7165","0.0008","16.9463","0.0012","16.0776","0.0011","90","","91.257","0.003","90","","3191.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H49 N5 O7 -","- C28 H49 N5 O7 -","- C112 H196 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0426","0.0376","","","0.0941","0.0966","","","","","","1.046","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125357","11.725","0.015","22.82","0.03","25.93","0.03","90","","90","","90","","6938","15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N6 O6 -","- C32 H52 N6 O6 -","- C256 H416 N48 O48 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0773","0.0575","","","0.129","0.1385","","","","","","1.093","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125358","10.6027","0.0007","8.8911","0.0006","15.9646","0.0011","90","","97.122","0.002","90","","1493.37","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H43 N5 O7 -","- C29 H43 N5 O7 -","- C58 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0262","0.0252","","","0.063","0.0635","","","","","","1.045","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125359","9.7541","0.0007","10.7355","0.0008","29.43","0.002","90","","90","","90","","3081.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O6 -","- C27 H48 N6 O6 -","- C108 H192 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0255","0.0239","","","0.0667","0.0737","","","","","","1.148","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125360","9.6852","0.0007","10.7444","0.0008","31.296","0.002","90","","90","","90","","3256.7","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 N6 O6 -","- C29 H50 N6 O6 -","- C116 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0502","0.0419","","","0.099","0.1044","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125361","10.6617","0.0004","8.8095","0.0004","15.8579","0.0007","90","","97.106","0.002","90","","1478","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H43 N5 O7 -","- C28 H43 N5 O7 -","- C56 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0556","0.0434","","","0.1043","0.1108","","","","","","1.062","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125362","14.0134","0.0006","21.2939","0.0009","11.1225","0.0004","90","","90","","90","","3319","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N4 O7 S -","- C30 H44 N4 O7 S -","- C120 H176 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0458","0.0416","","","0.1062","0.1082","","","","","","1.138","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125363","9.6527","0.0007","18.7582","0.0013","10.5398","0.0007","90","","115.399","0.002","90","","1724","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N7 O9 -","- C29 H53 N7 O9 -","- C58 H106 N14 O18 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0348","0.0291","","","0.0646","0.0667","","","","","","1.038","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125364","11.8017","0.0005","15.0992","0.0006","19.6217","0.0008","90","","90","","90","","3496.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 N4 O7 S -","- C33 H50 N4 O7 S -","- C132 H200 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0368","0.0318","","","0.0824","0.0853","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125365","9.8381","0.0002","10.3396","0.0002","25.5626","0.0018","90","","97.525","0.007","90","","2577.9","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N5 O7 -","- C22 H37 N5 O7 -","- C88 H148 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54187","CuKα","","0.047","0.0433","","","0.1104","0.1137","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125366","27.2814","0.0019","15.4659","0.0011","17.7648","0.0012","90","","106.757","0.002","90","","7177.2","0.9","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.25 H54.5 Cl N6 O6.25 -","- C29.25 H54.5 Cl N6 O6.25 -","- C234 H436 Cl8 N48 O50 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0401","0.0392","","","0.1146","0.1154","","","","","","1.042","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125367","12.3684","0.0007","18.2504","0.0009","13.2045","0.0008","90","","108.027","0.003","90","","2834.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H88 Li4 N4 O8 -","- C58 H88 Li4 N4 O8 -","- C116 H176 Li8 N8 O16 -","2","1","","Yu, Kai; Lu, Ping; Jackson, Jeffrey J.; Nguyen, Thuy-Ai D; Alvarado, Joseph; Stivala, Craig E.; Ma, Yun; Mack, Kyle A.; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Lithium Enolates in the Enantioselective Construction of Tetrasubstituted Carbon Centers with Chiral Lithium Amides as Noncovalent Stereodirecting Auxiliaries.","Journal of the American Chemical Society","2017","139","1","527","533","10.1021/jacs.6b11673","","","0.71073","MoKα","","0.1005","0.0624","","","0.1385","0.1569","","","","","","1.019","","","","has coordinates","193469","2020-10-21","18:00:00",""
"4125368","13.903","0.003","30.755","0.006","12.122","0.002","90","","98.163","0.003","90","","5130.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H39 Cl3 F12 N4 O6 -","- C53 H39 Cl3 F12 N4 O6 -","- C212 H156 Cl12 F48 N16 O24 -","4","1","","Guberman-Pfeffer, Matthew J; Greco, Jordan A.; Samankumara, Lalith P.; Zeller, Matthias; Birge, Robert R.; Gascón, José A; Brückner, Christian","Bacteriochlorins with a Twist: Discovery of a Unique Mechanism to Red-Shift the Optical Spectra of Bacteriochlorins.","Journal of the American Chemical Society","2017","139","1","548","560","10.1021/jacs.6b12419","","","0.71073","MoKα","","0.0917","0.0503","","","0.1116","0.1295","","","","","","1.009","","","","has coordinates,has disorder","193465","2020-10-21","18:00:00",""
"4125369","15.158","0.0012","15.3757","0.0012","15.9657","0.0012","61.884","0.004","69.613","0.005","80.627","0.006","3076.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H152 N6 O36 P6 Zn6 -","- C112 H152 N6 O36 P6 Zn6 -","- C112 H152 N6 O36 P6 Zn6 -","1","0.5","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71073","MoKα","","0.083","0.0594","","","0.1416","0.1559","","","","","","1.072","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125370","20.717","0.002","28.654","0.003","31.996","0.004","90","","99.303","0.002","90","","18744","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C152 H187 N12 O40 P8 Zn8 -","- C152 H187 N12 O40 P8 Zn8 -","- C608 H748 N48 O160 P32 Zn32 -","4","1","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0922","0.0783","","","0.1603","0.168","","","","","","1.125","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125371","24.471","0.004","21.59","0.003","18.982","0.003","90","","90.508","0.003","90","","10028","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H124 F N5 O20 P4 Zn4 -","- C88 H124 F N5 O20 P4 Zn4 -","- C352 H496 F4 N20 O80 P16 Zn16 -","4","0.5","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0524","0.0502","","","0.1242","0.1258","","","","","","1.081","","","","has coordinates","193475","2020-10-21","18:00:00",""
"4125372","20.1992","0.0019","20.2","0.003","30.891","0.004","87.998","0.009","71.693","0.008","60.233","0.005","10275","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C172 H202 Cl8 N30 O32 P8 Zn8 -","- C172 H202 Cl8 N30 O32 P8 Zn8 -","- C344 H404 Cl16 N60 O64 P16 Zn16 -","2","1","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0899","0.0766","","","0.1402","0.1468","","","","","","1.181","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125373","26.7213","0.0008","26.7213","0.0008","26.7213","0.0008","90","","90","","90","","19079.8","1","100","2","100","","","","","","","","","7","F m -3 m","-F 4 2 3","225","Re3-MOF","","","- C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -","- C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -","- C371.52 H112 Cl2.88 N22.08 O144 Re3.12 Zr24 -","4","0.0208333","","Choi, Kyung Min; Kim, Dohyung; Rungtaweevoranit, Bunyarat; Trickett, Christopher A.; Barmanbek, Jesika Trese Deniz; Alshammari, Ahmad S.; Yang, Peidong; Yaghi, Omar M.","Plasmon-Enhanced Photocatalytic CO2 Conversion within Metal-Organic Frameworks under Visible Light.","Journal of the American Chemical Society","2017","139","1","356","362","10.1021/jacs.6b11027","","","0.7749","synchrotron","","0.0732","0.0631","","","0.2151","0.2292","","","","","","1.185","","","","has coordinates,has disorder","193463","2020-10-21","18:00:00",""
"4125374","12.1938","0.0019","12.1954","0.0017","14.403","0.002","95.074","0.008","104.765","0.008","110.31","0.007","1905","0.5","149","2","149","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 B Cl2 F10 O2 P -","- C39 H36 B Cl2 F10 O2 P -","- C78 H72 B2 Cl4 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0756","0.0488","","","0.1124","0.126","","","","","","1.016","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125375","12.1499","0.0006","12.23","0.0006","14.2517","0.0007","67.943","0.003","72.004","0.003","68.902","0.003","1793.79","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H22 B F10 O2 P -","- C46 H22 B F10 O2 P -","- C92 H44 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0701","0.0407","","","0.1149","0.1357","","","","","","0.893","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125376","35.141","0.003","12.6854","0.0011","19.7553","0.0015","90","","110.047","0.007","90","","8272.9","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 B F10 O2 P -","- C51 H30 B F10 O2 P -","- C408 H240 B8 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0647","0.0446","","","0.1192","0.1363","","","","","","1.066","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125377","11.5384","0.0009","12.434","0.001","14.3574","0.0011","100.016","0.003","103.12","0.003","112.579","0.003","1772.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H22 B F10 O2 P -","- C44 H22 B F10 O2 P -","- C88 H44 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0977","0.0569","","","0.1442","0.1712","","","","","","1.037","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125378","11.331","0.003","14.461","0.004","20.313","0.005","79.494","0.014","76.28","0.013","80.221","0.014","3151.2","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H40 B2 Cl4 F20 N4 O4 -","- C67.994 H39.988 B2 Cl3.988 F20 N4 O4 -","- C135.988 H79.976 B4 Cl7.976 F40 N8 O8 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1675","0.0804","","","0.198","0.2388","","","","","","1.037","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125379","11.272","0.003","11.615","0.003","12.999","0.003","96.308","0.006","98.573","0.006","109.688","0.006","1560.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 B F10 O2 P -","- C36 H26 B F10 O2 P -","- C72 H52 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1565","0.0616","","","0.0965","0.1239","","","","","","1.008","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125380","11.266","0.013","14.188","0.016","15.869","0.018","93.22","0.03","109.04","0.03","106.77","0.05","2264","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H26 B Cl4 F10 O2 P -","- C48 H26 B Cl4 F10 O2 P -","- C96 H52 B2 Cl8 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1249","0.081","","","0.2234","0.2545","","","","","","1.121","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125381","20.116","0.006","16.403","0.003","23.728","0.006","90","","90","","90","","7829","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H38 B Cl2 F10 O2 P -","- C39 H38 B Cl2 F10 O2 P -","- C312 H304 B8 Cl16 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1362","0.0606","","","0.1333","0.1641","","","","","","1.007","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125382","14.349","0.002","14.6217","0.0018","21.734","0.003","90","","103.312","0.007","90","","4437.4","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 B Cl2 F10 N2 O2 -","- C48 H33 B Cl2 F10 N2 O2 -","- C192 H132 B4 Cl8 F40 N8 O8 -","4","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1071","0.0507","","","0.1129","0.1443","","","","","","1.018","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125383","11.9389","0.0006","12.3205","0.0007","13.4662","0.0007","75.071","0.003","79.753","0.003","76.984","0.003","1849.57","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H30 B F10 O2 P -","- C45 H30 B F10 O2 P -","- C90 H60 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0681","0.0477","","","0.1279","0.1407","","","","","","1.023","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125384","10.1843","0.001","12.478","0.0012","14.2277","0.0013","96.946","0.006","94.317","0.006","113.853","0.005","1626.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F10 N O3.5 -","- C39 H32 B F10 N O3.5 -","- C78 H64 B2 F20 N2 O7 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1292","0.0521","","","0.1034","0.1285","","","","","","0.99","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125385","17.84","0.002","11.2767","0.0013","18.421","0.002","90","","106.581","0.005","90","","3551.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 B F10 N2 O2 -","- C40 H35 B F10 N2 O2 -","- C160 H140 B4 F40 N8 O8 -","4","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1573","0.0574","","","0.0962","0.1227","","","","","","1.004","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125386","10.79777","0.00008","18.02876","0.00011","18.36383","0.00014","90","","95.7982","0.0007","90","","3556.6","0.04","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Cl2 Cu N8 O10 -","- C68 H116 Cl2 Cu N8 O10 -","- C136 H232 Cl4 Cu2 N16 O20 -","2","0.5","","Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry.","Journal of the American Chemical Society","2017","139","1","472","481","10.1021/jacs.6b11322","","","1.54178","CuKα","","0.0415","0.0402","","","0.1115","0.1126","","","","","","1.036","","","","has coordinates,has disorder","193466","2020-10-21","18:00:00",""
"4125387","7.2563","0.0007","19.6314","0.0019","8.5775","0.0008","90","","90.146","0.003","90","","1221.9","0.2","102","2","102","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H16 Cl4 Cu F6 N2 O -","- C21 H16 Cl4 Cu F6 N2 O -","- C42 H32 Cl8 Cu2 F12 N4 O2 -","2","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0434","0.0355","","","0.0777","0.0809","","","","","","1.072","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125388","12.494","0.003","13.226","0.003","23.435","0.005","90","","104.249","0.003","90","","3753.4","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl4 Cu F6 N2 S2 -","- C37 H37 Cl4 Cu F6 N2 S2 -","- C148 H148 Cl16 Cu4 F24 N8 S8 -","4","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0377","0.034","","","0.1145","0.1159","","","","","","1.318","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125389","17.9172","0.0011","17.5654","0.001","25.9568","0.0015","90","","90","","90","","8169.2","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cl2NNF6]Cu(tBuBnSSBntBu)","","- C39 H37 Cl4 Cu F6 N2 S2 -","- C39 H37 Cl4 Cu F6 N2 S2 -","- C312 H296 Cl32 Cu8 F48 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0474","0.033","","","0.0689","0.0726","","","","","","1.032","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125390","17.958","0.0003","8.561","0.0006","18.156","0.0007","90","","90","","90","","2791.3","0.2","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","FePrPrAmideData3","'FePrPrAmideData3'","","- C23 H47 Fe N4 O2 S2 -","- C23 H47 Fe N4 O2 S2 -","- C92 H188 Fe4 N16 O8 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.0868","0.0477","","","0.1075","0.1219","","","","","","0.94","","","","has coordinates","193471","2020-10-21","18:00:00",""
"4125391","25.3369","0.0005","25.3369","0.0005","114.6628","0.0017","90","","90","","120","","63747","2","100","0.1","100","0.1","","","","","","","","8","R -3","-R 3","148","","","","- C379 H345 Ag63 B Cl6 F71.41 P8 S36 -","- C376 H339 Ag63 B0.9999 F71.406 P8 S36 -","- C2256 H2034 Ag378 B5.9994 F428.436 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.096","0.0688","","","0.1909","0.2078","","","","","","1.054","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125392","25.2879","0.0004","25.2879","0.0004","114.758","0.002","90","","90","","120","","63553.5","1.8","100.01","0.1","100.01","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C315 Ag63 Br F72 P8 S36 -","- C315 Ag63 Br0.9999 F72 P8 S36 -","- C1890 Ag378 Br5.9994 F432 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.152","0.1246","","","0.3893","0.4101","","","","","","1.09","","","","has coordinates","193464","2020-10-21","18:00:00",""
"4125393","23.5229","0.0002","22.1084","0.0002","30.7227","0.0003","90","","101.956","0.0009","90","","15630.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C256 H294 Ag38 Cl8 F52 P8 S26 -","- C256 H294 Ag38 Cl8 F52 P8 S26 -","- C512 H588 Ag76 Cl16 F104 P16 S52 -","2","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.0693","0.0595","","","0.161","0.1691","","","","","","1.078","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125394","21.5588","0.0018","21.5588","0.0018","21.5588","0.0018","90","","90","","90","","10020.1","1.4","298","","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C127.92 H73.12 N27.44 Ni10.24 O21.98 -","- C127.848 H73.056 N27.396 Ni10.283 O21.9684 -","- C127.848 H73.056 N27.396 Ni10.283 O21.9684 -","1","0.0208333","","Lv, Xiu-Liang; Wang, Kecheng; Wang, Bin; Su, Jie; Zou, Xiaodong; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai","A Base-Resistant Metalloporphyrin Metal-Organic Framework for C-H Bond Halogenation.","Journal of the American Chemical Society","2017","139","1","211","217","10.1021/jacs.6b09463","powder diffraction","x-ray","0.45336","Synchrotron","","","","","","","","","0.0199","5.219","","","","","","","has coordinates","193468","2020-10-21","18:00:00",""
"4125395","15.571","0.0011","27.889","0.0019","13.1594","0.0009","90","","93.496","0.001","90","","5704","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 B Cl Ir N3 Si -","- C31 H33 B Cl Ir N3 Si -","- C248 H264 B8 Cl8 Ir8 N24 Si8 -","8","2","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0258","0.02","","","0.0469","0.0493","","","","","","1.052","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4125396","11.047","0.007","11.047","0.007","42.43","0.03","90","","90","","90","","5178","6","296","2","296","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C27 H27 B Cl Ir N3 Si -","- C27 H27 B Cl Ir N3 Si -","- C216 H216 B8 Cl8 Ir8 N24 Si8 -","8","1","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0243","0.0236","","","0.0492","0.0495","","","","","","1.287","","","","has coordinates","193470","2020-10-21","18:00:00",""
"4125397","11.1773","0.0005","12.6727","0.0006","18.2164","0.0011","100.992","0.004","97.611","0.004","91.693","0.003","2506.7","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21.38 H32.5 B N4 O6.38 -","- C21.375 H32.5 B N4 O6.375 -","- C85.5 H130 B4 N16 O25.5 -","4","4","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.125","0.0905","","","0.2294","0.2604","","","","","","0.976","","","","has coordinates","193506","2020-10-21","18:00:00",""
"4125406","20.1406","0.0012","23.222","0.0012","23.1156","0.0014","90","","108.643","0.004","90","","10244","1","123","","123","","","","","","","","L. Bueldt","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H140 Cr N6 O -","- C112 H140 Cr N6 O -","- C448 H560 Cr4 N24 O4 -","4","1","","Büldt, Laura A; Guo, Xingwei; Vogel, Raphael; Prescimone, Alessandro; Wenger, Oliver S.","A Tris(diisocyanide)chromium(0) Complex Is a Luminescent Analog of Fe(2,2'-Bipyridine)3(2).","Journal of the American Chemical Society","2017","139","2","985","992","10.1021/jacs.6b11803","","","1.5418","CuKα","","0.2181","0.0836","","0.3329","0.211","0.3327","","","","","","1.0288","","","","has coordinates","193507","2020-10-21","18:00:00",""
"4125407","16.834","0.002","31.679","0.004","19.255","0.002","90","","106.808","0.0015","90","","9830","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[SbPd12Sb20]-cluster","","- C55 H136 N7 O0 P3 Pd12 Sb21 -","- C48.004 H108.009 P3 Pd12 Sb21 -","- C192.016 H432.036 P12 Pd48 Sb84 -","4","1","","Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan","Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.","Journal of the American Chemical Society","2017","139","2","619","622","10.1021/jacs.6b12109","","","0.71073","MoKα","","0.1078","0.0627","","","0.1383","0.156","","","","","","1.149","","","","has coordinates,has disorder","193505","2020-10-21","18:00:00",""
"4125408","19.3446","0.0017","20.8536","0.0018","19.6141","0.0018","90","","117.117","0.0014","90","","7042.7","1.1","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Pd12Sn21 cluster","","- C92 H176 P4 Pd12 Sb21 -","- C64 H144 P4 Pd12 Sb21 -","- C128 H288 P8 Pd24 Sb42 -","2","0.25","","Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan","Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.","Journal of the American Chemical Society","2017","139","2","619","622","10.1021/jacs.6b12109","","","0.71073","MoKα","","0.075","0.0594","","","0.1278","0.1328","","","","","","1.067","","","","has coordinates,has disorder","193505","2020-10-21","18:00:00",""
"4125410","10.387","0.003","12.581","0.003","17.001","0.004","74.868","0.006","75.734","0.006","68.376","0.006","1965.6","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 Cl10 Rh2 -","- C34 H44 Cl10 Rh2 -","- C68 H88 Cl20 Rh4 -","2","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.1257","0.0529","","","0.1135","0.1694","","","","","","0.984","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125411","8.8158","0.0003","10.8021","0.0004","15.834","0.0006","90","","99.18","0.0016","90","","1488.55","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl4 Rh2 Si2 -","- C24 H42 Cl4 Rh2 Si2 -","- C48 H84 Cl8 Rh4 Si4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0538","0.0332","","","0.0813","0.1181","","","","","","1.186","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125412","8.7569","0.0006","17.2308","0.0012","20.2703","0.0014","107.469","0.0016","90.3607","0.0016","98.5771","0.0016","2880.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cl4 Rh2 -","- C30 H34 Cl4 Rh2 -","- C120 H136 Cl16 Rh8 -","4","2","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0352","0.0255","","","0.0683","0.0827","","","","","","1.145","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125413","22.258","0.003","12.0838","0.0016","32.954","0.004","90","","94.378","0.003","90","","8837","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C312 H504 Cl48 Rh24 -","12","1.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0774","0.0435","","","0.0705","0.0787","","","","","","1.054","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125414","16.2813","0.0007","16.6938","0.0007","13.754","0.0006","90","","106.587","0.0017","90","","3582.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl13 Rh2 -","- C23 H33 Cl13 Rh2 -","- C92 H132 Cl52 Rh8 -","4","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0519","0.0307","","","0.0766","0.0927","","","","","","1.067","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125415","7.69","0.0006","11.9817","0.0009","16.7847","0.0012","90","","100.257","0.002","90","","1521.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl4 Rh2 -","- C30 H46 Cl4 Rh2 -","- C60 H92 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0566","0.0375","","","0.0775","0.0851","","","","","","1.022","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125416","8.6256","0.0004","8.6786","0.0004","20.448","0.001","90","","90.4595","0.0015","90","","1530.65","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl4 Rh2 -","- C32 H38 Cl4 Rh2 -","- C64 H76 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0336","0.0235","","","0.0679","0.0898","","","","","","1.272","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125417","37.104","0.003","8.7364","0.0007","20.2317","0.0017","90","","107.84","0.004","90","","6242.9","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cl4 O2 Rh2 -","- C32 H38 Cl4 O2 Rh2 -","- C256 H304 Cl32 O16 Rh16 -","8","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0502","0.0375","","","0.112","0.1424","","","","","","1.193","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125418","9.6416","0.0007","12.1709","0.0008","12.2625","0.0008","98.803","0.003","101.711","0.003","91.939","0.003","1389.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 Cl10 Rh2 -","- C20 H24 Cl10 Rh2 -","- C40 H48 Cl20 Rh4 -","2","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.041","0.0282","","","0.0725","0.0961","","","","","","1.152","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125419","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125420","14.185","0.0005","7.9695","0.0003","20.6751","0.0007","90","","102.411","0.0013","90","","2282.64","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl10 F10 Rh2 -","- C32 H26 Cl10 F10 Rh2 -","- C64 H52 Cl20 F20 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.099","0.0495","","","0.1234","0.1631","","","","","","1.042","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125421","8.9257","0.0003","7.2269","0.0003","16.0203","0.0006","90","","101.235","0.0014","90","","1013.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl4 Rh2 -","- C18 H26 Cl4 Rh2 -","- C36 H52 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0264","0.0196","","","0.0569","0.0768","","","","","","1.333","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125422","9.8019","0.0004","6.9703","0.0003","13.8154","0.0007","90","","104.652","0.003","90","","913.2","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 Rh2 -","- C16 H22 Cl4 Rh2 -","- C32 H44 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0472","0.0302","","","0.0578","0.0638","","","","","","1.04","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125423","8.32","0.002","8.922","0.002","9.425","0.003","102.237","0.009","106.68","0.008","94.698","0.009","647.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0511","0.035","","","0.0746","0.0926","","","","","","1.056","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125424","14.9273","0.0003","15.2598","0.0003","16.0016","0.0004","102.193","0.0011","115.757","0.001","95.4782","0.0011","3135.34","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 Cl6 Rh1.5 -","- C33 H32 Cl6 Rh1.5 -","- C132 H128 Cl24 Rh6 -","4","2","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0983","0.0489","","","0.1118","0.1584","","","","","","1.079","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125425","7.2985","0.0005","23.3122","0.0016","9.2025","0.0006","90","","109.431","0.003","90","","1476.57","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl10 Rh2 -","- C22 H28 Cl10 Rh2 -","- C44 H56 Cl20 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0931","0.0601","","","0.1543","0.1797","","","","","","1.081","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125426","8.5293","0.0007","10.5886","0.0008","15.2966","0.0012","90","","97.5113","0.0016","90","","1369.63","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C52 H84 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0607","0.0385","","","0.0741","0.0829","","","","","","1.015","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125427","8.6286","0.0003","11.6386","0.0004","17.4135","0.0006","90","","100.959","0.002","90","","1716.86","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl4 Rh2 -","- C40 H38 Cl4 Rh2 -","- C80 H76 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.066","0.0378","","","0.0664","0.0736","","","","","","1.034","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125428","8.8891","0.0007","9.1965","0.0007","11.9521","0.001","86.86","0.003","85.063","0.003","72.177","0.003","926.31","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl4 F12 Rh2 -","- C34 H30 Cl4 F12 Rh2 -","- C34 H30 Cl4 F12 Rh2 -","1","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0274","0.0241","","","0.074","0.0837","","","","","","1.269","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125429","27.0507","0.0015","9.8673","0.0005","11.7807","0.0006","90","","112.954","0.004","90","","2895.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Cl4 Rh2 -","- C28 H42 Cl4 Rh2 -","- C112 H168 Cl16 Rh8 -","4","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0664","0.0419","","","0.1012","0.1321","","","","","","1.127","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125430","5.846","0.0004","14.9613","0.0009","16.7311","0.0012","90","","90","","90","","1463.36","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-JML-95","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0455","0.0415","","","0.102","0.1051","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125431","6.7725","0.0007","13.8233","0.0013","11.1737","0.0018","90","","90","","90","","1046.1","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0386","0.0308","","","0.0765","0.0822","","","","","","1.0374","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"4125432","26.797","0.004","8.5062","0.0012","5.7903","0.0009","90","","90","","90","","1319.8","0.3","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H21 N -","- C16 H21 N -","- C64 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0552","0.0485","","","0.1193","0.1258","","","","","","1.044","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125433","6.6458","0.0002","8.1522","0.0003","48.228","0.0015","90","","90","","90","","2612.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 F3 O4 S -","- C30 H33 F3 O4 S -","- C120 H132 F12 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0414","0.0391","","","0.0953","0.0968","","","","","","1.047","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125434","10.4069","0.0003","12.6398","0.0004","13.3704","0.0004","90","","90","","90","","1758.76","0.09","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F2 O4 S -","- C18 H15 Br F2 O4 S -","- C72 H60 Br4 F8 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0355","0.0315","","","0.0775","0.0797","","","","","","1.031","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125435","63.0115","0.0019","6.0061","0.0002","9.4791","0.0003","90","","98.186","0.001","90","","3550.8","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0401","0.038","","","0.0984","0.1003","","","","","","1.064","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125436","9.6649","0.0015","5.7972","0.0009","25.224","0.004","90","","99.212","0.004","90","","1395.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F2 O5 S2 -","- C12 H14 F2 O5 S2 -","- C48 H56 F8 O20 S8 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","K-L~3~","0.0389","0.0334","","","0.0731","0.0762","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125437","7.8306","0.0011","5.4318","0.0007","20.139","0.003","90","","98.442","0.006","90","","847.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O3 S2 -","- C18 H18 F2 O3 S2 -","- C36 H36 F4 O6 S4 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0673","0.0675","","","","","","1.055","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125438","6.7965","0.0003","11.0812","0.0005","13.9075","0.0005","90","","90","","90","","1047.42","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0319","0.0307","","","0.0797","0.0814","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125439","10.9261","0.0007","5.0669","0.0003","14.3346","0.0009","90","","107.161","0.002","90","","758.25","0.08","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 N2 O2 S -","- C15 H15 F3 N2 O2 S -","- C30 H30 F6 N4 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0302","0.0278","","","0.0649","0.0664","","","","","","1.049","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125440","9.5529","0.0003","5.9734","0.0002","35.8785","0.0011","90","","90.348","0.002","90","","2047.31","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0579","0.046","","","0.1033","0.1088","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125441","12.86","0.004","12.175","0.004","18.825","0.007","90","","107.91","0.02","90","","2804.6","1.7","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 B N2 -","- C31 H44 B N2 -","- C124 H176 B4 N8 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0971","0.0551","","","0.1277","0.1553","","","","","","1.027","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125442","9.154","0.004","9.287","0.004","18.066","0.007","101.655","0.009","90.463","0.008","114.635","0.009","1359.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 B N O -","- C31 H44 B N O -","- C62 H88 B2 N2 O2 -","2","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0515","0.0425","","","0.1063","0.1128","","","","","","1.079","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125443","10.421","0.002","19.936","0.006","14.992","0.005","90","","92.682","0.015","90","","3111.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 B N3 -","- C35 H52 B N3 -","- C140 H208 B4 N12 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0472","0.0402","","","0.103","0.1096","","","","","","1.026","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125444","9.803","0.007","10.599","0.006","14.676","0.01","82.401","0.015","88.02","0.02","85.37","0.02","1506.1","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H49 B N2 -","- C35 H49 B N2 -","- C70 H98 B2 N4 -","2","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0842","0.0506","","","0.1101","0.1244","","","","","","1.025","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125445","17.216","0.006","9.185","0.003","17.525","0.006","90","","110.02","0.02","90","","2603.8","1.6","119","2","119","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H44 B N -","- C30 H44 B N -","- C120 H176 B4 N4 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0691","0.0478","","","0.1124","0.1223","","","","","","1.024","","","","has coordinates,has disorder","193492","2020-10-21","18:00:00",""
"4125446","41.0408","0.0002","41.0408","0.0002","41.0408","0.0002","90","","90","","90","","69127","0.6","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H32 Cl2 Fe6 O30 -","- C48 H32.0016 Cl1.9998 Fe6 O30.0002 -","- C768 H512.026 Cl31.9968 Fe96 O480.003 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0792","0.0676","","","0.2057","0.2198","","","","","","1.085","","","","has coordinates,has disorder","193493","2020-10-21","18:00:00",""
"4125447","41.5406","0.0002","41.5406","0.0002","41.5406","0.0002","90","","90","","90","","71683.4","0.6","150","2","150","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Co3 Fe6 N6 O41 -","- C84 H51.9984 Co3 Fe6 N6 O41.0001 -","- C1344 H831.974 Co48 Fe96 N96 O656.002 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0521","0.047","","","0.1499","0.1545","","","","","","1.08","","","","has coordinates,has disorder","193493","2020-10-21","18:00:00",""
"4125448","41.5308","0.0002","41.5308","0.0002","41.5308","0.0002","90","","90","","90","","71632.6","0.6","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H56 Co9 N6 O41 -","- C84 H56 Co9 N6 O41 -","- C1344 H896 Co144 N96 O656 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0673","0.0627","","","0.1965","0.201","","","","","","1.083","","","","has coordinates","193493","2020-10-21","18:00:00",""
"4125449","12.5748","0.0009","5.6465","0.0004","21.2806","0.0016","90","","97.453","0.004","90","","1498.23","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H24 Br3 N O9 -","- C30 H24 Br3 N O9 -","- C60 H48 Br6 N2 O18 -","2","1","","Sanhueza, Carlos A.; Baksh, Michael M.; Thuma, Benjamin; Roy, Marc D.; Dutta, Sanjay; Préville, Cathy; Chrunyk, Boris A.; Beaumont, Kevin; Dullea, Robert; Ammirati, Mark; Liu, Shenping; Gebhard, David; Finley, James E.; Salatto, Christopher T.; King-Ahmad, Amanda; Stock, Ingrid; Atkinson, Karen; Reidich, Benjamin; Lin, Wen; Kumar, Rajesh; Tu, Meihua; Menhaji-Klotz, Elnaz; Price, David A.; Liras, Spiros; Finn, M. G.; Mascitti, Vincent","Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.","Journal of the American Chemical Society","2017","139","9","3528","3536","10.1021/jacs.6b12964","","","1.54178","CuKα","","0.0589","0.0563","","","0.1658","0.1701","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4125450","9.157","0.0003","9.4895","0.0003","20.4389","0.0006","93.5118","0.0009","100.858","0.0009","97.4709","0.001","1722.72","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H35 Cl6 N3 O6 S -","- C32 H35 Cl6 N3 O6 S -","- C64 H70 Cl12 N6 O12 S2 -","2","2","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0403","0.0353","","","0.0909","0.1049","","","","","","1.086","","","","has coordinates,has disorder","193508","2020-10-21","18:00:00",""
"4125451","14.3182","0.0013","7.3622","0.0007","15.3001","0.0013","90","","91.8438","0.0018","90","","1612","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.0415","0.0313","","","0.0936","0.104","","","","","","1.137","","","","has coordinates","193508","2020-10-21","18:00:00",""
"4125452","10.6749","0.0006","8.3751","0.0005","23.18","0.0013","90","","100.208","0.002","90","","2039.6","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.54178","CuKα","","0.0342","0.0323","","","0.0828","0.0844","","","","","","1.052","","","","has coordinates","193498","2020-10-21","18:00:00",""
"4125453","10.4158","0.0003","12.3181","0.0004","20.3632","0.0007","90","","90","","90","","2612.66","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O6 -","- C32 H27 Br O6 -","- C128 H108 Br4 O24 -","4","1","","Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun","Efficient Enantioselective Syntheses of (+)-Dalesconol A and B.","Journal of the American Chemical Society","2017","139","9","3360","3363","10.1021/jacs.7b00783","","","1.54178","CuKα","","0.0628","0.0408","","","0.0871","0.0966","","","","","","1.022","","","","has coordinates","194836","2020-10-21","18:00:00",""
"4125454","12.043","0.005","14.846","0.006","15.764","0.007","71.267","0.007","78.309","0.007","78.41","0.007","2585.6","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H55 F6 N5 O15 Rh2 S2 -","- C45 H55 F6 N5 O15 Rh2 S2 -","- C90 H110 F12 N10 O30 Rh4 S4 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1626","0.1094","","","0.2769","0.3513","","","","","","1.211","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125455","15.5584","0.0017","25.541","0.003","25.687","0.003","90","","107.332","0.002","90","","9744","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 F12 N8 O28 Rh4 S4 -","- C81 H76 F12 N8 O25 Rh4 S4 -","- C324 H304 F48 N32 O100 Rh16 S16 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1365","0.0832","","","0.2396","0.2717","","","","","","1.023","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125456","14.412","0.002","20.181","0.004","21.21","0.004","92.724","0.003","95.238","0.003","95.152","0.003","6108.7","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H92 F12 N8 O26 Rh4 S4 -","- C91 H84 F6 N8 O19 Rh4 S2 -","- C182 H168 F12 N16 O38 Rh8 S4 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1486","0.0902","","","0.2383","0.2692","","","","","","0.929","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125457","16.0557","0.0014","35.685","0.003","21.5588","0.0018","90","","109.033","0.001","90","","11676.8","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H111 F12 N8 O30 Rh4 S4 -","- C102 H89 F12 N8 O26 Rh4 S4 -","- C408 H356 F48 N32 O104 Rh16 S16 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.0918","0.0663","","","0.1786","0.1921","","","","","","1.042","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125458","40.736","0.003","14.9836","0.0011","24.2513","0.0018","90","","117.182","0.001","90","","13167.5","1.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H118 F12 N8 O27 Rh4 S4 -","- C104 H108 F12 N8 O26 Rh4 S4 -","- C416 H432 F48 N32 O104 Rh16 S16 -","4","0.5","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.0816","0.0526","","","0.1469","0.1608","","","","","","0.957","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125459","23.8258","0.0009","27.4343","0.001","40.6296","0.0016","93.922","0.002","104.442","0.002","111.411","0.002","23565.8","1.6","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C120.33 H147.33 F12 N12 O41.33 Rh4 S4 -","- C111.333 H110 F5 N12 O25.6667 Rh4 S1.66667 -","- C668 H660 F30 N72 O154 Rh24 S10 -","6","3","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","1.54178","CuKα","","0.1647","0.131","","","0.3683","0.4091","","","","","","1.488","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125460","20.056","0.003","20.982","0.003","20.994","0.003","67.29","0.002","69.595","0.002","64.503","0.002","7177.1","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C145 H143 F12 N8 O32 Ru4 S4 -","- C138 H109 F9 N8 O25 Ru4 S3 -","- C276 H218 F18 N16 O50 Ru8 S6 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1846","0.1064","","","0.288","0.3474","","","","","","1.045","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125461","27.5131","0.0009","16.0386","0.0005","34.0114","0.0011","90","","112.28","0.001","90","","13887.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H144 F12 N8 O38 Rh4 S4 -","- C105 H96 F9 N8 O23 Rh4 S3 -","- C420 H384 F36 N32 O92 Rh16 S12 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","1.54178","CuKα","","0.0818","0.0705","","","0.2045","0.2152","","","","","","1.082","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125462","19.3696","0.0002","15.3999","0.0001","24.2089","0.0002","90","","94.022","0.001","90","","7203.49","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 Br N25 O12 -","- C48 H67 Br N25 O12 -","- C192 H268 Br4 N100 O48 -","4","1","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0584","0.0548","","","0.1541","0.1574","","","","","","1.042","","","","has coordinates","193514","2020-10-21","18:00:00",""
"4125463","10.1842","0.001","22.035","0.002","6.8426","0.0006","90","","99.143","0.003","90","","1516","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0596","0.0388","","","0.0842","0.0952","","","","","","1.027","","","","has coordinates","194837","2020-10-21","18:00:00",""
"4125464","6.4581","0.001","20.914","0.003","12.284","0.002","90","","95.867","0.005","90","","1650.4","0.4","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C68 H88 Br4 N4 O8 -","4","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0351","0.0239","","","0.0514","0.0546","","","","","","1.034","","","","has coordinates,has disorder","194837","2020-10-21","18:00:00",""
"4125465","9.6103","0.0007","9.9716","0.0007","10.1536","0.0008","75.6","0.002","84.472","0.002","64.298","0.002","849.13","0.11","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 I N O2 -","- C17 H22 I N O2 -","- C34 H44 I2 N2 O4 -","2","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0293","0.0259","","","0.0567","0.0592","","","","","","1.166","","","","has coordinates,has disorder","194837","2020-10-21","18:00:00",""
"4125466","13.1536","0.0009","13.9867","0.0009","19.6553","0.0011","103.578","0.0018","107.187","0.0019","95.011","0.002","3309.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65.5 H60 B F24 Mo N3 O P2 -","- C65.5 H60 B F24 Mo N3 O P2 -","- C131 H120 B2 F48 Mo2 N6 O2 P4 -","2","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0713","0.0436","","","0.0915","0.1026","","","","","","1.004","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125467","18.6539","0.0004","20.3751","0.0004","20.911","0.0004","90","","90","","90","","7947.7","0.3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C79 H82 B F24 Mo N3 O P2 -","- C79 H82 B F24 Mo N3 O P2 -","- C316 H328 B4 F96 Mo4 N12 O4 P8 -","4","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0539","0.0446","","","0.1071","0.1127","","","","","","1.046","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125468","14.0198","0.0009","12.6245","0.0008","29.5965","0.0019","90","","92.0068","0.0009","90","","5235.2","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H81 B O2 Th -","- C58 H73 B O Th -","- C232 H292 B4 O4 Th4 -","4","1","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0356","0.0254","","","0.0546","0.0576","","","","","","1.039","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125469","10.017","0.002","10.017","0.002","15.418","0.003","90","","90","","120","","1339.8","0.5","88","2","88","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Th -","- C30 H45 Th -","- C60 H90 Th2 -","2","0.166667","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0146","0.013","","","0.0328","0.0333","","","","","","1.117","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125470","10.0524","0.0009","10.0524","0.0009","15.4433","0.0015","90","","90","","120","","1351.5","0.2","143","2","143","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C31 H48 Th -","- C31 H48.0006 Th -","- C62 H96.0012 Th2 -","2","0.166667","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0469","0.0333","","","0.069","0.084","","","","","","1.178","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125471","13.96917","0.0001","7.51073","0.00005","14.95331","0.0001","90","","90","","90","","1568.88","0.019","85","2","85","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H18 N O -","- C20 H18 N O -","- C80 H72 N4 O4 -","4","1","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54184","CuKα","","0.0361","0.0357","","","0.0917","0.0923","","","","","","1.09","","","","has coordinates","193477","2020-10-21","18:00:00",""
"4125472","12.86","0.0007","13.2615","0.0007","22.4444","0.0012","92.528","0.003","94.167","0.003","108.759","0.003","3605.6","0.3","100","","99.96","","","","","","","","","6","P -1","-P 1","2","","","","- C69.97 H60 O2 P2 S16 V -","- C70 H60 O2 P2 S16 V -","- C140 H120 O4 P4 S32 V2 -","2","1","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.0757","0.0588","","","0.1341","0.1451","","","","","","1.061","","","","has coordinates,has disorder","193478","2020-10-21","18:00:00",""
"4125473","11.0523","0.0006","15.3821","0.0009","27.7478","0.0016","90","","91.969","0.003","90","","4714.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H52 O P2 S4 V -","- C54 H52 O P2 S4 V -","- C216 H208 O4 P8 S16 V4 -","4","2","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.033","0.0299","","","0.0698","0.0714","","","","","","1.027","","","","has coordinates","193478","2020-10-21","18:00:00",""
"4125474","10.663","0.006","12.686","0.007","22.853","0.013","103.838","0.01","98.039","0.011","98.816","0.011","2916","3","100","","99.93","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58.49 N2 O P2 S8 V -","- C62 H58 N2 O P2 S8 V -","- C124 H116 N4 O2 P4 S16 V2 -","2","1","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.0629","0.0481","","","0.1177","0.1276","","","","","","1.044","","","","has coordinates,has disorder","193478","2020-10-21","18:00:00",""
"4125475","7.5565","0.0003","16.3552","0.0004","17.6239","0.0006","90","","90","","90","","2178.1","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.049","0.0381","","","0.0975","0.1042","","","","","","1.083","","","","has coordinates","193479","2020-10-21","18:00:00",""
"4125476","32.039","0.006","8.102","0.0014","10.3858","0.0018","90","","101.971","0.003","90","","2637.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H36 Br N3 O6 -","- C27 H36 Br N3 O6 -","- C108 H144 Br4 N12 O24 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.051","0.0392","","","0.0888","0.0929","","","","","","0.989","","","","has coordinates,has disorder","194839","2020-10-21","18:00:00",""
"4125477","10.557","0.002","11.967","0.002","23.185","0.005","90","","90","","90","","2929.1","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O4 S -","- C32 H33 Br N2 O4 S -","- C128 H132 Br4 N8 O16 S4 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.0595","0.0457","","","0.0762","0.0783","","","","","","1.307","","","","has coordinates","194839","2020-10-21","18:00:00",""
"4125478","8.0108","0.0003","16.3497","0.0005","36.6816","0.0012","90","","90.004","0.002","90","","4804.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H33.5 N4 O3 S Si -","- C19.5 H33.5 N4 O3 S Si -","- C156 H268 N32 O24 S8 Si8 -","8","2","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","x-ray","0.71073","MoKα","","0.0698","0.0549","","","0.1423","0.1513","","","","","","1.104","","","","has coordinates","193509","2020-10-21","18:00:00",""
"4125479","26.48","0.005","7.2231","0.0015","28.774","0.006","90","","110.34","0.03","90","","5160","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1.3(H2O)","","","- C44 H32 Fe2 N24 O6 Pd2 -","- C44 H32 Fe2 N24 O6 Pd2 -","- C176 H128 Fe8 N96 O24 Pd8 -","4","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.5418","CuKα","","0.1491","0.1205","","","0.2524","0.2652","","","","","","1.174","","","","has coordinates","193521","2020-10-21","18:00:00",""
"4125480","26.5529","0.0014","7.2804","0.0005","28.9809","0.0013","90","","110.53","0.005","90","","5246.6","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.3(H2O)","","","- C22 H16 Fe N12 O3 Pd -","- C22 H16 Fe N12 O3 Pd -","- C176 H128 Fe8 N96 O24 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.54184","CuKα","","0.092","0.0802","","","0.238","0.2554","","","","","","1.15","","","","has coordinates","193521","2020-10-21","18:00:00",""
"4125481","26.5335","0.0009","7.4453","0.0003","29.3511","0.0009","90","","110.036","0.005","90","","5447.4","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.(Et,H2O)","","","- C24 H16 Fe N12 O2 Pd -","- C24 H16 Fe N12 O2 Pd -","- C192 H128 Fe8 N96 O16 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","0.71073","MoKα","","0.0869","0.0626","","","0.1669","0.1856","","","","","","1.06","","","","has coordinates,has disorder","193521","2020-10-21","18:00:00",""
"4125482","30.4451","0.0013","30.4451","0.0013","96.083","0.004","90","","90","","120","","77128","6","100","2","100.01","","","","","","","","","4","R -3","-R 3","148","","","","- C324 H216 N40 Ru6 -","- C324 H216 N40 Ru6 -","- C1944 H1296 N240 Ru36 -","6","","","Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R.","Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages.","Journal of the American Chemical Society","2017","139","8","3012","3020","10.1021/jacs.6b11784","","","1.54178","CuKα","","0.1896","0.136","","","0.4004","0.4491","","","","","","1.886","","","","has coordinates,has disorder","193480","2020-10-21","18:00:00",""
"4125483","13.2314","0.0004","8.5991","0.0003","29.3542","0.0008","90","","90.098","0.003","90","","3339.86","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0929","0.0615","","","0.1492","0.1692","","","","","","1.021","","","","has coordinates","193504","2020-10-21","18:00:00",""
"4125484","25.4957","0.0012","25.4957","0.0012","6.2727","0.0003","90","","90","","120","","3531.2","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C55 H60 O5 -","- C46 H40 O4 -","- C138 H120 O12 -","3","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0728","0.0633","","","0.1558","0.1605","","","","","","1.003","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125485","10.4271","0.0004","14.8854","0.0005","12.0952","0.0004","90","","113.424","0.002","90","","1722.6","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.124","0.1075","","","0.2954","0.3146","","","","","","1.015","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125486","36.947","0.0018","9.7771","0.0005","38.2483","0.0018","90","","111.093","0.002","90","","12890.9","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C680 H640 O80 -","20","5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0753","0.0557","","","0.1448","0.1607","","","","","","1.064","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125488","12.1941","0.0003","17.2572","0.0004","16.8432","0.0004","90","","107.324","0.0014","90","","3383.63","0.14","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O4 -","- C33 H45 B N2 O4 -","- C132 H180 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0621","0.0468","","","0.1373","0.146","","","","","","1.368","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125489","11.681","0.0004","14.3215","0.0005","19.9387","0.0007","90","","101.768","0.002","90","","3265.4","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O4 -","- C33 H45 B N2 O4 -","- C132 H180 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0804","0.0571","","","0.1605","0.1727","","","","","","1.491","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125490","18.9996","0.0007","16.0499","0.0006","18.9296","0.0007","90","","118.389","0.002","90","","5078.2","0.3","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0511","0.0425","","","0.1254","0.1311","","","","","","1.416","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125491","13.2934","0.0006","8.5248","0.0004","15.9325","0.0007","90","","100.915","0.002","90","","1772.86","0.14","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B N2 O4 -","- C15 H25 B N2 O4 -","- C60 H100 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0379","0.035","","","0.1171","0.1204","","","","","","1.511","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125492","7.3996","0.0004","7.6266","0.0005","37.156","0.002","90","","90","","90","","2096.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 N2 O3 S -","- C9 H11 N2 O3 S -","- C72 H88 N16 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1017","0.0868","","","0.2163","0.2295","","","","","","1.13","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125493","7.3346","0.0002","7.5087","0.0002","36.7164","0.0014","90","","90","","90","","2022.09","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 N O3 S -","- C9 H10 N O3 S -","- C72 H80 N8 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0558","0.0471","","","0.1353","0.1405","","","","","","1.104","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125494","5.4297","0.0005","9.1562","0.001","10.8346","0.001","93.508","0.008","97.284","0.008","100.633","0.009","523.15","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N2 O5 S -","- C9 H9 N2 O5 S -","- C18 H18 N4 O10 S2 -","2","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0486","0.0461","","","0.1283","0.1307","","","","","","1.059","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125495","11.1336","0.001","15.7206","0.0016","11.0314","0.0017","90","","90","","90","","1930.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 N O4 S -","- C9 H10 N O4 S -","- C72 H80 N8 O32 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1504","0.125","","","0.2999","0.3582","","","","","","1.267","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125496","7.0851","0.0005","7.8518","0.0004","24.8513","0.0017","95.667","0.005","95.177","0.006","93.368","0.005","1366.93","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O8 S2 -","- C28 H26 N2 O8 S2 -","- C56 H52 N4 O16 S4 -","2","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1022","0.0637","","","0.1474","0.1684","","","","","","1.056","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125497","17.462","0.0006","7.1855","0.0002","22.0942","0.0007","90","","90.221","0.003","90","","2772.21","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O6 S2 -","- C26 H28 N4 O6 S2 -","- C104 H112 N16 O24 S8 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1114","0.0925","","","0.2674","0.2902","","","","","","1.064","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125498","11.036","0.005","5.946","0.005","27.498","0.005","90","0.005","93.037","0.005","90","0.005","1801.9","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.096","0.0769","","","0.1939","0.2017","","","","","","1.253","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125499","21.814","0.005","5.665","0.005","23.078","0.005","90","0.005","101.57","0.005","90","0.005","2794","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.092","0.0655","","","0.12","0.1301","","","","","","1.069","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125500","6.8608","0.0008","7.4854","0.0009","12.4733","0.0011","94.583","0.009","100.837","0.009","97.837","0.009","619.6","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","1","0.5","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1115","0.0882","","","0.2739","0.2879","","","","","","1.171","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125501","9.6831","0.001","6.95","0.0011","16.999","0.003","90","","98.873","0.012","90","","1130.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1439","0.0992","","","0.2531","0.3225","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125502","6.7115","0.0002","12.5511","0.0003","17.2878","0.0005","90","","90","","90","","1456.27","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.038","0.0357","","","0.0966","0.0983","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125503","20.179","0.005","7.3128","0.0018","24.983","0.006","90","","106.921","0.01","90","","3527","1.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 Pd -","- C26 H16 N2 Pd -","- C208 H128 N16 Pd8 -","8","2","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0848","0.0447","","","0.0763","0.0875","","","","","","1.009","","","","has coordinates","193522","2020-10-21","18:00:00",""
"4125504","14.577","0.003","21.308","0.002","7.6497","0.0011","90","","93.398","0.015","90","","2371.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 B Br2 -","- C29 H23 B Br2 -","- C116 H92 B4 Br8 -","4","0.5","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.1029","0.0718","","","0.1758","0.1921","","","","","","1.105","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125505","8.5016","0.0007","10.3643","0.0009","14.9812","0.0014","81.866","0.007","85.884","0.007","77.541","0.006","1274.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 B Br2 -","- C33 H23 B Br2 -","- C66 H46 B2 Br4 -","2","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0961","0.0669","","","0.1549","0.1697","","","","","","1.046","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125506","18.4101","0.0007","13.605","0.0004","8.2544","0.0003","90","","98.845","0.003","90","","2042.89","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 B Br2 -","- C26 H17 B Br2 -","- C104 H68 B4 Br8 -","4","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0575","0.0457","","","0.1084","0.1123","","","","","","1.149","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125507","29.3271","0.0005","8.3264","0.0001","20.8885","0.0003","90","","90","","90","","5100.75","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30.5 H21.5 B Br2 Cl1.5 -","- C30.5 H21.5 B Br2 Cl1.5 -","- C244 H172 B8 Br16 Cl12 -","8","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0574","0.0529","","","0.125","0.1283","","","","","","1.164","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125508","15.526","0.0009","9.0436","0.0005","15.7165","0.0009","90","","113.022","0.004","90","","2031","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B -","- C29 H23 B -","- C116 H92 B4 -","4","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0579","0.0448","","","0.1022","0.1077","","","","","","1.061","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125509","8.8813","0.001","11.36","0.0014","13.4459","0.0019","93.38","0.011","97.697","0.01","93.021","0.01","1339.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 B -","- C36 H34 B -","- C72 H68 B2 -","2","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.1338","0.0733","","","0.1658","0.1931","","","","","","0.981","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125510","9.1273","0.0002","21.7763","0.0006","17.9055","0.0006","90","","91.652","0.003","90","","3557.4","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl Mn N5 O11 -","- C30 H40 Cl Mn N5 O11 -","- C120 H160 Cl4 Mn4 N20 O44 -","4","1","","Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana","Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex.","Journal of the American Chemical Society","2017","139","4","1472","1484","10.1021/jacs.6b08394","","x-ray","0.71073","MoKα","","0.0595","0.05","","","0.1309","0.1377","","","","","","1.063","","","","has coordinates,has disorder","193500","2020-10-21","18:00:00",""
"4125511","25.878","0.0009","26.0327","0.0009","26.5129","0.0009","61.613","0.002","75.949","0.002","61.416","0.002","13795.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C480 H582 Ag44.66 Au5.34 P12 S30 -","- C480 H582 Ag44.658 Au5.342 P12 S30 -","- C480 H582 Ag44.658 Au5.342 P12 S30 -","1","0.5","","Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.","Journal of the American Chemical Society","2017","139","4","1618","1624","10.1021/jacs.6b11681","","","0.71073","MoKα","","0.2137","0.1497","","","0.3478","0.4079","","","","","","1.167","","","","has coordinates,has disorder","193501","2020-10-21","18:00:00",""
"4125512","26.2512","0.0012","26.6936","0.0012","26.7376","0.0012","76.576","0.002","60.718","0.002","61.726","0.002","14392.3","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C480 H582 Ag50 P12 S30 -","- C480 H582 Ag50 P12 S30 -","- C480 H582 Ag50 P12 S30 -","1","0.5","","Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.","Journal of the American Chemical Society","2017","139","4","1618","1624","10.1021/jacs.6b11681","","","0.71073","MoKα","","0.093","0.0619","","","0.1606","0.1788","","","","","","1.035","","","","has coordinates","193501","2020-10-21","18:00:00",""
"4125513","7.4283","0.0008","8.3837","0.0009","10.8769","0.0012","95.785","0.009","103.104","0.009","114.473","0.011","585.8","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0883","0.0655","","","0.1889","0.1951","","","","","","1.359","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125514","13.0892","0.0006","13.9674","0.0004","8.3002","0.0004","90","","96.4","0.004","90","","1508","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B Cl2 N2 O2 -","- C14 H11 B Cl2 N2 O2 -","- C56 H44 B4 Cl8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0477","0.0387","","","0.0926","0.0978","","","","","","1.043","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125515","6.8541","0.0007","9.8549","0.0019","10.772","0.002","114.154","0.018","93.533","0.011","96.875","0.011","654.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 Br2 N4 O4 -","- C26 H20 B2 Br2 N4 O4 -","- C26 H20 B2 Br2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0606","0.041","","","0.1226","0.1671","","","","","","1.063","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125516","9.3053","0.0009","12.7855","0.0013","13.0268","0.0013","90","","90.721","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C72 H60 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0842","0.0658","","","0.1565","0.1659","","","","","","1.105","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125517","10.5129","0.0005","12.6999","0.0006","13.1644","0.0006","90","","99.026","0.005","90","","1735.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B Cl2 N2 O2 -","- C18 H13 B Cl2 N2 O2 -","- C72 H52 B4 Cl8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0492","0.0387","","","0.0963","0.1037","","","","","","1.036","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125518","6.8485","0.0004","8.6631","0.0006","14.9105","0.001","104.365","0.006","92.714","0.005","97.449","0.005","846.82","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.072","0.0537","","","0.1744","0.1932","","","","","","1.174","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125519","26.2971","0.001","7.0717","0.0002","22.6474","0.0008","90","","114.836","0.004","90","","3822.1","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H21 B N2 O2 -","- C21 H21 B N2 O2 -","- C168 H168 B8 N16 O16 -","8","2","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0663","0.056","","","0.1604","0.1776","","","","","","1.096","","","","has coordinates,has disorder","193516","2020-10-21","18:00:00",""
"4125520","12.354","0.002","8.628","0.001","14.2421","0.0019","90","","116.121","0.01","90","","1363","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F N2 O2 -","- C14 H12 B F N2 O2 -","- C56 H48 B4 F4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0483","0.0396","","","0.0991","0.1053","","","","","","1.044","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125521","3.8701","0.0004","12.5606","0.0014","28.597","0.002","90","","93.811","0.009","90","","1387","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 B F3 N2 O2 -","- C14 H10 B F3 N2 O2 -","- C56 H40 B4 F12 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1318","0.0501","","","0.07","0.0987","","","","","","0.938","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125522","8.0142","0.0007","9.9714","0.0007","11.2985","0.0009","91.268","0.006","109.233","0.008","103.936","0.006","822.32","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0671","0.0479","","","0.1238","0.1374","","","","","","1.05","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125523","10.1397","0.0005","12.3561","0.0004","12.7615","0.0006","90","","110.316","0.005","90","","1499.39","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 B N2 O3 -","- C15 H15 B N2 O3 -","- C60 H60 B4 N8 O12 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0542","0.0408","","","0.0973","0.1061","","","","","","1.015","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125524","24.7752","0.0015","13.4269","0.0008","27.4783","0.0014","90","","90","","90","","9140.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 B N2 O2 S -","- C15 H15 B N2 O2 S -","- C360 H360 B24 N48 O48 S24 -","24","3","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.173","0.0848","","","0.1521","0.1913","","","","","","1.045","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125525","7.6712","0.0004","19.9377","0.0013","10.8372","0.0006","90","","99.292","0.005","90","","1635.76","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B N2 O2 -","- C17 H19 B N2 O2 -","- C68 H76 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0889","0.0522","","","0.1071","0.1243","","","","","","1.038","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125526","6.757","0.0003","9.7827","0.0004","10.5456","0.0005","112.762","0.004","94.006","0.004","96.904","0.004","632.96","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 Cl2 N4 O4 -","- C26 H20 B2 Cl2 N4 O4 -","- C26 H20 B2 Cl2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0397","0.0381","","","0.1091","0.1115","","","","","","0.85","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125527","8.9934","0.0005","15.8317","0.0007","7.2226","0.0004","90","","90.808","0.005","90","","1028.26","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 B2 N4 O4 -","- C20 H16 B2 N4 O4 -","- C40 H32 B4 N8 O8 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.1288","0.108","","","0.2793","0.3144","","","","","","1.14","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125528","10.4157","0.0015","12.9098","0.0017","13.575","0.002","90","","97.56","0.014","90","","1809.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B Br2 N2 O2 -","- C18 H13 B Br2 N2 O2 -","- C72 H52 B4 Br8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1201","0.0712","","","0.1472","0.1813","","","","","","1.029","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125529","6.7753","0.0003","24.5789","0.0011","9.48","0.0006","90","","117.015","0.004","90","","1406.44","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B F2 N2 O2 -","- C14 H11 B F2 N2 O2 -","- C56 H44 B4 F8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0639","0.0455","","","0.1106","0.1221","","","","","","1.052","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125530","5.2682","0.0002","13.5894","0.0004","18.7378","0.0005","90","","90","","90","","1341.47","0.07","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","139","3","1049","1052","10.1021/jacs.6b11336","","","1.54178","CuKα","","0.0229","0.0228","","","0.0597","0.0598","","","","","","1.106","","","","has coordinates","193523","2020-10-21","18:00:00",""
"4125531","19.777","0.008","16.145","0.006","25.463","0.01","90","","104.312","0.005","90","","7878","5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H86 Cl4 Cr2 O4 P4 Rh2 -","- C84 H83 Cl4 Cr2 O4 P4 Rh2 -","- C336 H332 Cl16 Cr8 O16 P16 Rh8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71073","MoKα","","0.1333","0.0924","","","0.2087","0.2378","","","","","","1.214","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125532","8.189","0.0005","18.7027","0.0011","23.157","0.0011","90","","90","","90","","3546.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cr O2 P2 -","- C40 H38 Cr O2 P2 -","- C160 H152 Cr4 O8 P8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0539","0.0401","","","0.0961","0.1024","","","","","","1.026","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125533","11.193","0.002","7.1614","0.0013","23.653","0.004","90","","98.978","0.003","90","","1872.7","0.6","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Xiong, Peng; Xu, He-Huan; Xu, Hai-Chao","Metal- and Reagent-Free Intramolecular Oxidative Amination of Tri- and Tetrasubstituted Alkenes.","Journal of the American Chemical Society","2017","139","8","2956","2959","10.1021/jacs.7b01016","","","0.71073","MoKα","","0.0554","0.0476","","","0.1246","0.1305","","","","","","0.941","","","","has coordinates","193482","2020-10-21","18:00:00",""
"4125535","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","193483","2020-10-21","18:00:00",""
"4125536","13.407","0.002","13.407","0.002","24.102","0.004","90","","90","","90","","4332.3","1.2","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","Ni(14-TMC)(NO3)2","","","- C16 H35 N7 Ni O6 -","- C16 H35 N7 Ni O6 -","- C128 H280 N56 Ni8 O48 -","8","2","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.1107","0.0587","","","0.1376","0.1649","","","","","","0.973","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125537","17.067","0.0008","12.9148","0.0006","8.7358","0.0005","90","","90","","90","","1925.52","0.17","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","Co(14-TMC)(NO3)2","","","- C14 H32 Co N6 O6 -","- C14 H32 Co N6 O6 -","- C56 H128 Co4 N24 O24 -","4","1","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.0925","0.0574","","","0.1431","0.1634","","","","","","1.048","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125538","7.8523","0.0001","9.3906","0.0002","11.5779","0.0008","77.261","0.005","84.541","0.006","71.939","0.005","791.35","0.06","85","2","85","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54178","CuKα","","0.0454","0.0446","","","0.1039","0.1045","","","","","","1.122","","","","has coordinates","193484","2020-10-21","18:00:00",""
"4125539","6.75939","0.00009","10.99247","0.00011","27.3555","0.0003","90","","90","","90","","2032.58","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0305","0.0301","","","0.0814","0.0818","","","","","","1.037","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125540","18.09886","0.00014","18.09886","0.00014","13.84162","0.00014","90","","90","","120","","3926.63","0.06","293","","293","","","","","","","","","5","P 31","P 31","144","","","","- C19 H14 Br N O4 -","- C19 H14 Br N O4 -","- C171 H126 Br9 N9 O36 -","9","3","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0382","0.0369","","","0.0995","0.1011","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4125541","9.95597","0.00012","7.08249","0.00009","11.73782","0.00013","90","","94.2701","0.0011","90","","825.372","0.017","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C38 H24 Br2 N2 O8 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0287","0.0284","","","0.0768","0.0773","","","","","","1.062","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125542","21.544","0.019","7.164","0.006","12.564","0.011","90","","98.611","0.012","90","","1917","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C72 H104 B8 F8 O16 -","4","0.5","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0435","0.035","","","0.082","0.0861","","","","","","1.06","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125543","12.799","0.004","7.758","0.003","10.736","0.004","90","","108.119","0.004","90","","1013.2","0.6","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B2 O4 -","- C10 H12 B2 O4 -","- C40 H48 B8 O16 -","4","1","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0392","0.0339","","","0.0858","0.0894","","","","","","1.098","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125544","6.5342","0.0007","14.3432","0.0015","11.1367","0.0012","90","","95.372","0.001","90","","1039.16","0.19","456","","456","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 O4 -","- C20 H32 B2 O4 -","- C40 H64 B4 O8 -","2","0.5","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0371","0.0362","","","0.0893","0.09","","","","","","1.055","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125545","17.3782","0.0005","24.308","0.0007","29.6232","0.0008","90","","100.01","0.002","90","","12323.2","0.6","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","NDI Cage","","- C124 H116 N12 O12 -","- C124 H116 N12 O12 -","- C496 H464 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","x-ray","1.54178","CuKα","","0.1539","0.0887","","","0.2","0.2468","","","","","","0.98","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125546","17.0811","0.0005","33.4347","0.001","21.6852","0.0006","90","","90","","90","","12384.4","0.6","100","","99.99","","","","","","","","","4","C 2 2 21","C 2c 2","20","","NDI Cage Nitrobenzene","","- C120 H102 N16 O20 -","- C120 H102 N16 O20 -","- C480 H408 N64 O80 -","4","0.5","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.0593","0.0575","","","0.169","0.1727","","","","","","1.092","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125547","18.6825","0.0012","24.9889","0.0014","26.0603","0.0017","75.543","0.005","77.656","0.005","89.992","0.005","11490.5","1.3","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C116.95 H107.85 N12 O12 -","- C116.95 H107.85 N12 O12 -","- C467.8 H431.4 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.2119","0.1307","","","0.3125","0.3482","","","","","","1.695","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125548","12.489","0.003","27.457","0.005","14.1","0.002","90","","104.753","0.006","90","","4675.6","1.6","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H96 Co3 N14 O12 -","- C106 H96 Co3 N14 O12 -","- C212 H192 Co6 N28 O24 -","2","1","","Wu, Yilei; Krzyaniak, Matthew D.; Stoddart, J. Fraser; Wasielewski, Michael R.","Spin Frustration in the Triradical Trianion of a Naphthalenediimide Molecular Triangle.","Journal of the American Chemical Society","2017","139","8","2948","2951","10.1021/jacs.7b00515","","","1.54178","CuKα","","0.037","0.0341","","","0.0881","0.0899","","","","","","1.024","","","","has coordinates","193485","2020-10-21","18:00:00",""
"4125551","18.8485","0.0017","41.389","0.004","26.821","0.003","90","","99.494","0.004","90","","20637","4","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C197.83 H311.84 B4 Fe4 K8 O9.96 P12 -","- C197.795 H311.68 B4 Fe4 K8 O9.995 P12 -","- C791.18 H1246.72 B16 Fe16 K32 O39.98 P48 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1605","0.095","","","0.1814","0.2029","","","","","","1.119","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125552","14.965","0.002","19.074","0.003","16.191","0.002","90","","103.987","0.005","90","","4484.6","1.1","100","2","99.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H64.03 B Fe K O2 P3 -","- C41 H64.09 B Fe K O2 P3 -","- C164 H256.36 B4 Fe4 K4 O8 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1263","0.092","","","0.2679","0.3062","","","","","","1.043","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125553","11.2309","0.0019","23.142","0.004","20.143","0.003","90","","97.191","0.006","90","","5194.1","1.5","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 B Fe K O5 P3 -","- C53 H87 B Fe K O5 P3 -","- C212 H348 B4 Fe4 K4 O20 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.071","0.0458","","","0.1097","0.1208","","","","","","1.015","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125554","10.9781","0.0013","15.8664","0.0018","20.543","0.002","90","","103.016","0.004","90","","3486.3","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 B Fe O P3 -","- C37 H55 B Fe O P3 -","- C148 H220 B4 Fe4 O4 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.0322","0.0267","","","0.0682","0.0709","","","","","","1.034","","","","has coordinates","193518","2020-10-21","18:00:00",""
"4125555","10.9056","0.0007","11.3906","0.0007","20.2061","0.0014","78.666","0.002","78.736","0.002","62.016","0.002","2157.9","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C41.31 H68.26 B Fe O1.32 P3 Si -","- C41.319 H68.295 B Fe O1.326 P3 Si -","- C82.638 H136.59 B2 Fe2 O2.652 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1234","0.0716","","","0.1618","0.187","","","","","","1.04","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125558","25.597","0.004","15.54","0.002","27.911","0.004","90","","113.193","0.003","90","","10205","3","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","La2c2@C2-C90 Ni(OEP)","La2c2@C2-C90 Ni(OEP)","","- C336 H144 La4 N12 Ni3 -","- C336 H144 La4.002 N12 Ni3 -","- C672 H288 La8.004 N24 Ni6 -","2","0.25","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.1601","0.1031","","","0.2806","0.3244","","","","","","1.023","","","","has coordinates,has disorder","197434","2020-10-21","18:00:00",""
"4125559","25.684","0.002","14.9762","0.0012","21.4659","0.0017","90","","97.945","0.002","90","","8177.6","1.1","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","La2c2@D3-C92 Ni(OEP)","La2c2@D3-C92 Ni(OEP)","","- C142 H54 Cl2 La2 N4 Ni -","- C142 H54 Cl2 La2.0002 N4 Ni -","- C568 H216 Cl8 La8.0008 N16 Ni4 -","4","0.5","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.0802","0.0572","","","0.1602","0.1824","","","","","","1.049","","","","has coordinates,has disorder","197434","2020-10-21","18:00:00",""
"4125560","14.4951","0.0015","13.7676","0.0014","18.7348","0.0019","90","","106.359","0.003","90","","3587.4","0.6","123","","123","","","","","","","","Cathrin Ertl","8","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H27 Cl3 F6 Ir N4 P S -","- C34 H24 F6 Ir N4 P S -","- C136 H96 F24 Ir4 N16 P4 S4 -","4","1","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.5418","CuKα","","0.0244","0.0243","","0.0547","0.0546","0.0547","","","","","","0.9999","","","","has coordinates","193486","2020-10-21","18:00:00",""
"4125561","9.3852","0.0003","11.2499","0.0005","21.9773","0.001","90","","92.826","0.003","90","","2317.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hv-03-203-DCE/heptane","sarpong123","","- C27 H25 N5 O Pd -","- C27 H25 N5 O Pd -","- C108 H100 N20 O4 Pd4 -","4","1","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.0499","0.0364","","","0.0838","0.0893","","","","","","1.041","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125562","8.3902","0.0004","21.3216","0.0011","13.1829","0.0006","90","","91.952","0.003","90","","2357","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","((1,4,9,14-tetramethylnaphtho[2',3':3,4]cyclobuta[1,2-b]naphtho[2',3':3,4] cyclobuta[1,2-i]anthracene-7,16-diyl)bis(ethyne-2,1-diyl)) bis(triisopropylsilane)","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Jin, Zexin; Teo, Yew Chin; Zulaybar, Nicolo G.; Smith, Matthew D.; Xia, Yan","Streamlined Synthesis of Polycyclic Conjugated Hydrocarbons Containing Cyclobutadienoids via C-H Activated Annulation and Aromatization.","Journal of the American Chemical Society","2017","139","5","1806","1809","10.1021/jacs.6b12888","","x-ray","0.7749","","","0.0677","0.0473","","","0.1143","0.124","","","","","","1.018","","","","has coordinates","193496","2020-10-21","18:00:00",""
"4125563","9.1847","0.0004","26.7032","0.0009","9.8011","0.0004","90","","92.742","0.004","90","","2401.07","0.16","176","2","176","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H46 Cl2 N8 O7 S5 -","- C34 H46 Cl2 N8 O7 S5 -","- C68 H92 Cl4 N16 O14 S10 -","2","1","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","0.71073","MoKα","","0.1461","0.1263","","","0.3341","0.3549","","","","","","1.296","","","","has coordinates","197417","2020-10-21","18:00:00",""
"4125564","10.1456","0.0006","14.9723","0.0008","17.5828","0.0009","65.938","0.005","87.435","0.004","88.087","0.004","2436","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H28 I2 N8 O8 S6 -","- C36 H28 I2 N8 O8 S6 -","- C72 H56 I4 N16 O16 S12 -","2","2","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","1.54184","CuKα","","0.0883","0.0744","","","0.1959","0.2071","","","","","","1.048","","","","has coordinates,has disorder","197417","2020-10-21","18:00:00",""
"4125565","11.9413","0.00017","10.41973","0.00013","10.43","0.0002","90","","98.2799","0.0017","90","","1284.23","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 Se -","- C12 H22 N2 Se -","- C48 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0561","0.0508","","","0.1296","0.1349","","","","","","1.029","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125566","6.2032","0.0002","9.9913","0.0005","17.2951","0.0007","90","","92.004","0.004","90","","1071.26","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0474","0.035","","","0.0602","0.0639","","","","","","1.076","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125567","11.35852","0.00009","12.23104","0.00006","11.94506","0.00011","90","","117.123","0.0011","90","","1476.99","0.02","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N2 Se -","- C13 H26 N2 Se -","- C52 H104 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0184","0.0183","","","0.0469","0.047","","","","","","1.076","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125568","11.934","0.0003","9.8566","0.0003","11.2837","0.0003","90","","90","","90","","1327.29","0.06","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0457","0.0344","","","0.0583","0.0616","","","","","","1.08","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125569","10.16777","0.00007","13.46789","0.0001","10.1804","0.0001","90","","90","","90","","1394.09","0.02","100","0.3","100","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H22 N2 Se -","- C13 H22 N2 Se -","- C52 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0804","0.0805","","","","","","1.088","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125570","10.58561","0.00017","10.51744","0.00017","9.66073","0.00016","90","","96.1599","0.0015","90","","1069.35","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0291","0.0238","","","0.0489","0.0507","","","","","","1.068","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125571","9.1761","0.0003","10.9659","0.0003","23.4534","0.0008","90","","90","","90","","2359.98","0.13","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H20 N2 Se -","- C11 H20 N2 Se -","- C88 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0555","0.0399","","","0.0589","0.062","","","","","","1.139","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125572","20.94407","0.00019","9.68682","0.0001","6.187","0.00006","90","","90","","90","","1255.23","0.02","99.9","0.4","99.9","0.4","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.04","0.0394","","","0.099","0.1001","","","","","","1.034","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125573","11.4233","0.00009","10.80265","0.00008","18.95402","0.00015","90","","90","","90","","2338.96","0.03","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Se -","- C10 H20 N2 Se -","- C80 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0395","0.0377","","","0.1017","0.104","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125574","13.4556","0.0014","20.0405","0.0006","6.243","0.002","90","","90","","90","","1683.5","0.6","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H30 N2 Se -","- C15 H30 N2 Se -","- C60 H120 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","","0.71073","MoKα","","0.039","0.0303","","","0.0677","0.0702","","","","","","1.028","","","","has coordinates,has disorder","193512","2020-10-21","18:00:00",""
"4125575","11.4123","0.0003","9.6891","0.0002","9.83","0.0002","90","","95.698","0.002","90","","1081.58","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0365","0.0294","","","0.0612","0.0635","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125576","5.4557","0.0002","12.6064","0.0003","11.1113","0.0003","90","","94.681","0.003","90","","761.65","0.04","200","0.1","200","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 N2 Se -","- C5 H12 N2 Se -","- C20 H48 N8 Se4 -","4","0.5","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0432","0.0423","","","0.1099","0.1112","","","","","","1.086","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125577","14.2487","0.0005","6.0376","0.00015","17.5143","0.0005","90","","95.262","0.003","90","","1500.37","0.08","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 Se -","- C16 H22 N2 Se -","- C64 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.053","0.0475","","","0.1264","0.1308","","","","","","1.09","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125578","6.22247","0.0001","10.03939","0.00018","15.0636","0.0002","90","","100.345","0.0015","90","","925.72","0.03","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H16 N2 Se -","- C7 H16 N2 Se -","- C28 H64 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0262","0.0216","","","0.0451","0.0465","","","","","","1.062","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125579","24.2552","0.0005","9.97679","0.00019","10.9577","0.0002","90","","102.715","0.002","90","","2586.62","0.09","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 Se -","- C12 H22 N2 Se -","- C96 H176 N16 Se8 -","8","2","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0342","0.0329","","","0.0842","0.086","","","","","","1.116","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125580","13.8039","0.0004","10.8191","0.0003","19.1497","0.0006","90","","105.025","0.001","90","","2762.15","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 N2 Ni Si2 -","- C24 H50 N2 Ni Si2 -","- C96 H200 N8 Ni4 Si8 -","4","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","0.71073","MoKα","","0.0422","0.0344","","","0.0875","0.0928","","","","","","1.072","","","","has coordinates","193519","2020-10-21","18:00:00",""
"4125581","10.3974","0.0006","11.1012","0.0006","15.5433","0.0008","71.692","0.002","80.489","0.002","64.912","0.002","1541.49","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 N4 Ni -","- C32 H56 N4 Ni -","- C64 H112 N8 Ni2 -","2","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","0.71073","MoKα","","0.1178","0.0905","","","0.218","0.2338","","","","","","1.031","","","","has coordinates","193519","2020-10-21","18:00:00",""
"4125582","10.7916","0.0006","12.1449","0.0007","19.7733","0.0011","90","","91.615","0.002","90","","2590.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B2 O6 -","- C25 H40 B2 O6 -","- C100 H160 B8 O24 -","4","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","1.54178","CuKα","","0.0593","0.0569","","","0.1497","0.153","","","","","","0.889","","","","has coordinates,has disorder","193519","2020-10-21","18:00:00",""
"4125583","38.3946","0.0017","10.3577","0.0004","17.4348","0.0007","90","","115.662","0.002","90","","6249.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H45 B2 F O6 -","- C32 H45 B2 F O6 -","- C256 H360 B16 F8 O48 -","8","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","1.54178","CuKα","","0.0436","0.0397","","","0.1122","0.1249","","","","","","1.062","","","","has coordinates,has disorder","193519","2020-10-21","18:00:00",""
"4125586","12.8836","0.0004","17.8107","0.0005","21.6813","0.0007","95.049","0.001","106.674","0.001","95.903","0.001","4704.5","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H111 Au B F24 P3 Pt -","- C90.0005 H111 Au B F24.001 P3 Pt -","- C180.001 H222 Au2 B2 F48.002 P6 Pt2 -","2","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.094","0.0498","","","0.1069","0.1271","","","","","","1.03","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125587","17.7729","0.0005","18.5761","0.0006","22.1488","0.0007","90","","103.537","0.001","90","","7109.3","0.4","193","2","193","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C256 H412 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0309","0.0288","","","0.0718","0.0731","","","","","","1.022","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125588","26.743","0.0006","12.8498","0.0003","20.3054","0.0005","90","","107.367","0.001","90","","6659.7","0.3","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H99 Au F6 N O4 P3 Pt S2 -","- C60 H99 Au F6 N O4 P3 Pt S2 -","- C240 H396 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0765","0.0489","","","0.1442","0.1809","","","","","","0.942","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125589","9.5002","0.0002","12.7386","0.0003","16.6006","0.0004","90","","90.605","0.001","90","","2008.88","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O Si -","- C23 H26 N2 O Si -","- C92 H104 N8 O4 Si4 -","4","2","","Gribble, Jr, Michael W; Pirnot, Michael T.; Bandar, Jeffrey S.; Liu, Richard Y.; Buchwald, Stephen L.","Asymmetric Copper Hydride-Catalyzed Markovnikov Hydrosilylation of Vinylarenes and Vinyl Heterocycles.","Journal of the American Chemical Society","2017","139","6","2192","2195","10.1021/jacs.6b13029","","","1.54178","CuKα","","0.0308","0.0307","","","0.0834","0.0835","","","","","","1.034","","","","has coordinates,has disorder","193513","2020-10-21","18:00:00",""
"4125590","27.2965","0.0007","27.2965","0.0007","16.2071","0.0006","90","","90","","120","","10458","0.5","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C23 H29 B F4 O2 -","- C23 H29 B F4 O2 -","- C414 H522 B18 F72 O36 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.6935","Synchrotron","","0.1938","0.1724","","","0.5211","0.5422","","","","","","2.136","","","","has coordinates,has disorder","193497","2020-10-21","18:00:00",""
"4125591","10.248","0.0006","15.0433","0.0008","16.9963","0.0008","85.397","0.005","82.509","0.005","87.759","0.006","2588.4","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","2","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.0749","0.0514","","","0.1265","0.1416","","","","","","1.087","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4125592","9.6273","0.0014","9.6571","0.0014","14.569","0.002","106.794","0.002","91.195","0.003","104.193","0.002","1251","0.3","100","","100","","","","","","","","dichlormethane","2","P -1","-P 1","2","","","","- C38 H24 -","- C38 H24 -","- C76 H48 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0697","0.0604","","","0.1637","0.1728","","","","","","1.02","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4125593","8.5356","0.0011","15.5623","0.0019","13.664","0.0017","90","","98.38","0.003","90","","1795.7","0.4","100","","100","","","","","","","","toluole","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.07","0.0471","","","0.1181","0.132","","","","","","1.025","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4125594","15.0339","0.0009","12.9751","0.0007","21.9518","0.0013","90","","93.558","0.004","90","","4273.8","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 F3 Fe N O3 P3 S Si -","- C39 H57 F3 Fe N O3 P3 S Si -","- C156 H228 F12 Fe4 N4 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.068","0.0461","","","0.0844","0.092","","","","","","1.032","","","","has coordinates","193488","2020-10-21","18:00:00",""
"4125595","12.6721","0.0016","16.407","0.002","19.169","0.002","106.503","0.005","99.988","0.005","100.24","0.005","3653","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70.5 H71 B F24 Fe N O P3 Si -","- C70.5 H71 B F24 Fe N O P3 Si -","- C141 H142 B2 F48 Fe2 N2 O2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0846","0.0491","","","0.1195","0.1338","","","","","","1.027","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125596","17.19","0.0012","17.7939","0.0012","16.5123","0.0011","90","","97.288","0.004","90","","5009.9","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72.07 F3 Fe N2 O5 P3 S Si -","- C46 H72.064 F3 Fe N2 O5 P3 S Si -","- C184 H288.256 F12 Fe4 N8 O20 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.1104","0.0607","","","0.1201","0.1385","","","","","","1.028","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125597","10.53","0.002","10.877","0.002","18.902","0.004","74.62","0.03","88.11","0.03","61.95","0.03","1831.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H57 Fe N P3 Si -","- C38 H57 Fe N P3 Si -","- C76 H114 Fe2 N2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0938","0.0533","","","0.0997","0.1109","","","","","","1.066","","","","has coordinates","193488","2020-10-21","18:00:00",""
"4125598","12.9953","0.0009","14.3232","0.001","20.006","0.0013","88.513","0.002","73.783","0.002","87.956","0.003","3572.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H69.64 B F24 Fe N P3 Si -","- C70 H69.65 B F24 Fe N P3 Si -","- C140 H139.3 B2 F48 Fe2 N2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0646","0.0485","","","0.1068","0.1148","","","","","","1.02","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125599","13.5","0.0008","20.6046","0.0012","43.205","0.003","90","","96.475","0.001","90","","11941.3","1.3","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C130 H165 O20 -","- C130 H165 O20 -","- C520 H660 O80 -","4","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","0.71073","MoKα","","0.1234","0.0865","","","0.2383","0.284","","","","","","1.045","","","","has coordinates,has disorder","193489","2020-10-21","18:00:00",""
"4125600","17.6487","0.0016","20.6724","0.0019","18.2635","0.0014","90","","90","","90","","6663.3","1","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H70 F12 N6 P2 Ru -","- C66 H46 F12 N6 P2 Ru -","- C264 H184 F48 N24 P8 Ru4 -","4","1","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1629","0.1194","","","0.3092","0.3449","","","","","","1.031","","","","has coordinates","193490","2020-10-21","18:00:00",""
"4125608","9.1272","0.0003","21.5044","0.0007","23.2601","0.0008","88.205","0.002","88.653","0.002","88.317","0.002","4560","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H114 F3 K N6 O35 S -","- C81 H114 F3 K N6 O35 S -","- C162 H228 F6 K2 N12 O70 S2 -","2","1","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","1.54178","CuKα","","0.0763","0.0639","","","0.1757","0.1865","","","","","","1.033","","","","has coordinates,has disorder","194834","2020-10-21","18:00:00",""
"4125609","17.719","0.0005","12.4759","0.0006","9.2314","0.0004","90","","90","","90","","2040.7","0.14","173","2","173","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","0.5","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1394","0.0822","","","0.1796","0.215","","","","","","1.264","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4125610","24.6495","0.0014","8.8435","0.0005","32.1542","0.0013","90","","130.301","0.003","90","","5345.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 N2 O27 -","- C38 H76 N2 O27 -","- C152 H304 N8 O108 -","4","1","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1277","0.0739","","","0.2067","0.2299","","","","","","1.068","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4125616","6.3632","0.0002","10.611","0.0004","13.3887","0.0004","68.504","0.002","83.023","0.002","76.485","0.001","817.19","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Reiher, Christopher A.; Shenvi, Ryan A.","Stereocontrolled Synthesis of Kalihinol C.","Journal of the American Chemical Society","2017","139","10","3647","3650","10.1021/jacs.7b01124","","","0.71073","MoKα","","0.0394","0.0361","","","0.1005","0.1034","","","","","","1.056","","","","has coordinates","194831","2020-10-21","18:00:00",""
"4125618","19.614","0.003","10.4389","0.0009","42.807","0.007","90","","99.657","0.015","90","","8640","2","150","0.1","150","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C312 H424 Co8 F48 N24 O52 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.1873","0.0745","","","0.1006","0.114","","","","","","0.856","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125619","35.56","0.003","11.5161","0.0008","21.158","0.003","90","","102.477","0.009","90","","8459.8","1.5","298.6","","298.6","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H40 Co F6 N3 O6 P2 S2 -","- C39 H40 Co F6 N3 O6 P2 S2 -","- C312 H320 Co8 F48 N24 O48 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","","0.71073","MoKα","","0.1002","0.0787","","","0.2202","0.2438","","","","","","1.045","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125620","9.1042","0.0003","10.6408","0.0003","20.646","0.0006","100.465","0.002","94.427","0.002","94.263","0.002","1952.98","0.1","150","2","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C35.38 H33.77 Cl0.77 Co F6 N2 O6 P2 S2 -","- C35.386 H33.772 Cl0.772 Co F6 N2 O6 P2 S2 -","- C70.772 H67.544 Cl1.544 Co2 F12 N4 O12 P4 S4 -","2","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","","0.71073","MoKα","","0.072","0.0459","","","0.1096","0.1162","","","","","","0.949","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125621","11.0634","0.0005","11.8443","0.0005","18.1779","0.0008","100.479","0.004","103.371","0.004","102.291","0.004","2196.38","0.18","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C39 H51 Co F6 N4 O6 P2 S2 -","- C39 H51 Co F6 N4 O6 P2 S2 -","- C78 H102 Co2 F12 N8 O12 P4 S4 -","2","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.0865","0.0522","","","0.0951","0.1072","","","","","","1.036","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125622","13.92506","0.00015","7.62053","0.00008","22.4351","0.0002","90","","90.4854","0.0009","90","","2380.65","0.04","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H16 O -","- C16 H16 O -","- C128 H128 O8 -","8","2","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54178","CuKα","","0.036","0.0356","","","0.093","0.0932","","","","","","1.042","","","","has coordinates","193025","2020-10-21","18:00:00",""
"4125623","7.69025","0.00007","13.54657","0.00017","20.9417","0.0002","90","","90","","90","","2181.63","0.04","120","","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54184","CuKα","","0.0515","0.0499","","","0.137","0.139","","","","","","1.054","","","","has coordinates","193026","2020-10-21","18:00:00",""
"4125624","26.6275","0.0007","26.6275","0.0007","14.9233","0.0005","90","","90","","120","","9163.4","0.5","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C20 H24 Fe N4 O2 -","- C20 H24 Fe N4 O2 -","- C360 H432 Fe18 N72 O36 -","18","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0501","0.0347","","","0.0718","0.0787","","","","","","0.938","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125625","8.3711","0.0004","17.0618","0.0009","18.6672","0.0009","90","","90","","90","","2666.2","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Fe N4 O2 -","- C24 H32 Fe N4 O2 -","- C96 H128 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0477","0.0369","","","0.0909","0.0972","","","","","","1.044","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125626","12.478","0.005","10.528","0.005","21.296","0.005","90","0.005","90","0.005","90","0.005","2797.6","1.9","200","2","200","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C28 H40 Fe N4 O2 -","- C28 H40 Fe N4 O2 -","- C112 H160 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71069","MoKα","","0.0477","0.0371","","","0.1027","0.1189","","","","","","1.19","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125627","15.3013","0.001","10.7723","0.0006","14.3639","0.001","90","","90","","90","","2367.6","0.3","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H24 B F4 Fe N4 O2 -","- C20 H24 B F4 Fe N4 O2 -","- C80 H96 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.1328","0.0696","","","0.0814","0.0934","","","","","","1.072","","","","has coordinates,has disorder","288469","2023-12-21","09:29:37",""
"4125628","11.2452","0.0005","16.1669","0.0008","17.9585","0.0008","90","","105.802","0.002","90","","3141.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 B F4 Fe N4 O2 -","- C28 H40 B F4 Fe N4 O2 -","- C112 H160 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0647","0.0472","","","0.1028","0.1154","","","","","","1.018","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125629","18.1138","0.0005","12.4841","0.0003","21.1588","0.0006","90","","90","","90","","4784.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 B F4 Fe N5 O3 -","- C20 H24 B F4 Fe N5 O3 -","- C160 H192 B8 F32 Fe8 N40 O24 -","8","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0345","0.0265","","","0.0807","0.0991","","","","","","1.148","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125630","10.9335","0.0005","12.7302","0.0006","19.1398","0.0008","90","","90","","90","","2664","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 B F4 Fe N5 O3 -","- C24 H32 B F4 Fe N5 O3 -","- C96 H128 B4 F16 Fe4 N20 O12 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0254","0.022","","","0.0616","0.0751","","","","","","1.192","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125631","21.64","","21.86","","22.426","","65.37","","61.48","","84.84","","8393.86","","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C300 H197.26 Ag38 F52 P8 S26 -","- C300 H197.246 Ag38 F52 P8 S26 -","- C300 H197.246 Ag38 F52 P8 S26 -","1","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","0.71073","MoKα","","0.1","0.0605","","","0.1843","0.2211","","","","","","1.008","","","","has coordinates,has disorder","193028","2020-10-21","18:00:00",""
"4125632","11.4059","0.0002","31.7761","0.0005","15.3471","0.0003","90","","111.604","0.002","90","","5171.58","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 B Cu F20 N4 -","- C54 H48 B Cu F20 N4 -","- C216 H192 B4 Cu4 F80 N16 -","4","1","","Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry.","Journal of the American Chemical Society","2017","139","1","472","481","10.1021/jacs.6b11322","","","1.54178","CuKα","","0.0436","0.0354","","","0.0846","0.0892","","","","","","1.025","","","","has coordinates,has disorder","193029","2020-10-21","18:00:00",""
"4125633","4.2433","0.0008","20.178","0.004","20.83","0.004","90","","94.852","0.002","90","","1777.1","0.6","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 F8 I4 N2 -","- C40 H20 F8 I4 N2 -","- C80 H40 F16 I8 N4 -","2","0.5","","Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli","Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory.","Journal of the American Chemical Society","2017","139","1","436","441","10.1021/jacs.6b11057","","","0.71073","MoKα","","0.0546","0.0379","","","0.0678","0.0733","","","","","","1.026","","","","has coordinates","193030","2020-10-21","18:00:00",""
"4125634","8.111","0.004","10.142","0.005","10.582","0.005","116.789","0.005","105.997","0.005","92.452","0.006","732.7","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 F4 I2 N2 -","- C34 H20 F4 I2 N2 -","- C34 H20 F4 I2 N2 -","1","0.5","","Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli","Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory.","Journal of the American Chemical Society","2017","139","1","436","441","10.1021/jacs.6b11057","","","0.71073","MoKα","","0.0464","0.0373","","","0.0861","0.0911","","","","","","1.043","","","","has coordinates,has disorder","193031","2020-10-21","18:00:00",""
"4125635","12.355","0.0005","15.307","0.0008","14.802","0.0007","90","","123.147","0.003","90","","2343.8","0.2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","gloria01","'gloria01'","","- C16 H31 F6 Fe N3 O P S2 -","- C16 H31 F6 Fe N3 O P S2 -","- C64 H124 F24 Fe4 N12 O4 P4 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.1447","0.0711","","","0.174","0.2019","","","","","","0.997","","","","has coordinates","193032","2020-10-21","18:00:00",""
"4125636","39.8773","0.0003","39.8773","0.0003","27.4426","0.0004","90","","90","","90","","43639.2","0.8","100","2","100","2","","","","","","","","8","P 4/n","-P 4a","85","","","","- C464 H168 F192 Fe8 N136 Ni6 O64 S32 -","- C436 H168 F108 Fe8 N122 Ni6 O8 S4 -","- C872 H336 F216 Fe16 N244 Ni12 O16 S8 -","2","","","Brenner, Wolfgang; Ronson, Tanya K.; Nitschke, Jonathan R.","Separation and Selective Formation of Fullerene Adducts within an M(II)8L6 Cage.","Journal of the American Chemical Society","2017","139","1","75","78","10.1021/jacs.6b11523","","","0.6889","synchrotron","","0.1451","0.1276","","","0.3709","0.3888","","","","","","1.152","","","","has coordinates,has disorder","193033","2020-10-21","18:00:00",""
"4125637","6.369","0.0003","14.0432","0.0006","15.4534","0.0006","68.518","0.001","89.229","0.001","77.501","0.001","1252.37","0.09","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","2","","Ding, Wei; Lu, Liang-Qiu; Zhou, Quan-Quan; Wei, Yi; Chen, Jia-Rong; Xiao, Wen-Jing","Bifunctional Photocatalysts for Enantioselective Aerobic Oxidation of β-Ketoesters.","Journal of the American Chemical Society","2017","139","1","63","66","10.1021/jacs.6b11418","","","1.54178","CuKα","","0.033","0.0327","","","0.0906","0.091","","","","","","1.005","","","","has coordinates","193034","2020-10-21","18:00:00",""
"4125638","13.965","0.003","28.537","0.006","14.7","0.003","90","","109.25","0.03","90","","5531","2","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C238 H290 F6 Ir4 N4 O14 P4 S2 -","2","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0717","0.0537","","","0.1074","0.1201","","","","","","0.998","","","","has coordinates,has disorder","193035","2020-10-21","18:00:00",""
"4125639","17.6216","0.0013","18.3846","0.0013","32.285","0.002","90","","90","","90","","10459.2","1.2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C436 H584 F12 Ir8 N8 O36 P8 S4 -","4","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0209","0.0181","","","0.0373","0.0382","","","","","","1.046","","","","has coordinates,has disorder","193036","2020-10-21","18:00:00",""
"4125640","10.818","0.002","14.5","0.003","12.569","0.003","90","","102.765","0.004","90","","1922.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 S -","- C20 H25 B O3 S -","- C80 H100 B4 O12 S4 -","4","2","","Lovinger, Gabriel J.; Aparece, Mark D.; Morken, James P.","Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron ""Ate"" Complexes and C(sp(2)) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger.","Journal of the American Chemical Society","2017","139","8","3153","3160","10.1021/jacs.6b12663","","","0.71073","MoKα","","0.0565","0.05","","","0.1114","0.115","","","","","","1.059","","","","has coordinates,has disorder","193037","2020-10-21","18:00:00",""
"4125641","7.5778","0.0001","25.9067","0.0005","36.526","0.003","90","","90","","90","","7170.6","0.6","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 B F4 N O -","- C20 H18 B F4 N O -","- C320 H288 B16 F64 N16 O16 -","16","4","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54178","CuKα","","0.0928","0.0699","","","0.1756","0.1928","","","","","","0.962","","","","has coordinates","193038","2020-10-21","18:00:00",""
"4125642","29.6889","0.0013","14.9613","0.0007","14.8859","0.0007","90","","115.211","0.002","90","","5982.3","0.5","100","2","99.94","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H52 O P2 S12 V -","- C62 H52 O P2 S12 V -","- C248 H208 O4 P8 S48 V4 -","4","0.5","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.1368","0.1349","","","0.3212","0.3219","","","","","","1.356","","","","has coordinates","193039","2020-10-21","18:00:00",""
"4125643","15.009","0.006","13.965","0.007","19.47","0.009","90","","90","","90","","4081","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.2268","0.1463","","","0.3305","0.4035","","","","","","1.243","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4125644","11.08","0.007","27.686","0.016","9.526","0.006","90","","96.376","0.014","90","","2904","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N O2 -","- C15 H9 O2 -","- C120 H72 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.1161","0.056","","","0.1214","0.1371","","","","","","0.886","","","","has coordinates","193041","2020-10-21","18:00:00",""
"4125645","11.7566","0.0013","11.9481","0.0013","18.921","0.002","78.101","0.007","84.064","0.007","64.72","0.006","2351.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","2","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0676","0.0576","","","0.15","0.1576","","","","","","1.055","","","","has coordinates,has disorder","193042","2020-10-21","18:00:00",""
"4125646","6.7057","0.0007","10.4349","0.001","10.471","0.0011","115.281","0.007","101.865","0.008","93.508","0.008","639.11","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cl2 O4 -","- C30 H28 Cl2 O4 -","- C30 H28 Cl2 O4 -","1","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0556","0.0428","","","0.1104","0.1178","","","","","","1.049","","","","has coordinates","193043","2020-10-21","18:00:00",""
"4125647","25.0005","0.001","25.0005","0.001","48.793","0.002","90","","90","","120","","26411","1.8","101","2","101","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C148 H160 Cl12 -","- C148 H160 Cl12 -","- C888 H960 Cl72 -","6","0.333333","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.54178","CuKα","","0.0744","0.0698","","","0.1925","0.1956","","","","","","1.131","","","","has coordinates,has disorder","193044","2020-10-21","18:00:00",""
"4125648","43.8917","0.0019","20.3623","0.0008","25.1357","0.001","90","","121.486","0.001","90","","19157.2","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C144 H132 Br12 -","- C144 H132 Br12 -","- C576 H528 Br48 -","4","0.5","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","0.71073","MoKα","","0.0905","0.0651","","","0.1922","0.215","","","","","","1.094","","","","has coordinates,has disorder","193045","2020-10-21","18:00:00",""
"4125649","7.8837","0.0001","12.6022","0.0001","14.4974","0.0001","90","","95.238","0.001","90","","1434.33","0.02","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.048","0.0478","","","0.1172","0.1175","","","","","","1.136","","","","has coordinates","193046","2020-10-21","18:00:00",""
"4125650","13.92565","0.00012","6.76441","0.00005","16.55751","0.00012","90","","90","","90","","1559.7","0.02","85","2","85","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0404","0.0399","","","0.0975","0.0979","","","","","","1.122","","","","has coordinates","193047","2020-10-21","18:00:00",""
"4125651","10.62617","0.0001","19.11003","0.00016","13.49063","0.00011","90","","90.5435","0.0008","90","","2739.37","0.04","85","2","85","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O2 -","- C38 H30 O2 -","- C152 H120 O8 -","4","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0615","0.0597","","","0.1647","0.1673","","","","","","1.035","","","","has coordinates","193048","2020-10-21","18:00:00",""
"4125652","22.6944","0.0007","21.4972","0.0005","9.4414","0.0003","90","","99.847","0.003","90","","4538.3","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H46.78 I2 N6.93 O6 Se2 -","- C37.856 H46.784 I2.0001 N6.928 O6 Se2 -","- C151.424 H187.136 I8.0004 N27.712 O24 Se8 -","4","1","","Lim, Jason Y. C.; Marques, Igor; Thompson, Amber L.; Christensen, Kirsten E.; Félix, Vítor; Beer, Paul D.","Chalcogen Bonding Macrocycles and [2]Rotaxanes for Anion Recognition.","Journal of the American Chemical Society","2017","139","8","3122","3133","10.1021/jacs.6b12745","","","0.6889","Synchrotron","","0.0978","0.0683","","0.199","0.1767","0.199","","","","","","0.9868","","","","has coordinates,has disorder","193049","2020-10-21","18:00:00",""
"4125653","14.6181","0.0015","13.8956","0.0014","16.9244","0.0017","90","","107.448","0.002","90","","3279.6","0.6","123","","123","","","","","","","","Cathrin Ertl","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Cl2 F6 Ir N4 O P -","- C35 H26 Cl2 F6 Ir N4 O P -","- C140 H104 Cl8 F24 Ir4 N16 O4 P4 -","4","1","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.5418","CuKα","","0.0257","0.0256","","0.0556","0.0556","0.0556","","","","","","0.9994","","","","has coordinates","193050","2020-10-21","18:00:00",""
"4125654","12.2991","0.0019","13.34","0.002","40.35","0.007","90","","90","","90","","6620.2","1.8","123","","123","","","","","","","","Cathrin Ertl","7","F d d 2","F 2 -2d","43","","","","- C34 H24 F6 Ir N6 P S2 -","- C34 H24 F6 Ir N6 P S2 -","- C272 H192 F48 Ir8 N48 P8 S16 -","8","0.5","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.54178","CuKα","","0.0171","0.017","","0.0405","0.0405","0.0405","","","","","","0.9244","","","","has coordinates","193051","2020-10-21","18:00:00",""
"4125655","11.3612","0.0003","15.0007","0.0004","15.3112","0.0004","99.798","0.002","93.975","0.002","94.8","0.002","2553.05","0.12","100","0.2","100","0.2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H38 -","- C31 H38 -","- C124 H152 -","4","2","","Yang, Sanghee; Shin, Suyong; Choi, Inho; Lee, Jaeho; Choi, Tae-Lim","Direct Formation of Large-Area 2D Nanosheets from Fluorescent Semiconducting Homopolymer with Orthorhombic Crystalline Orientation.","Journal of the American Chemical Society","2017","139","8","3082","3088","10.1021/jacs.6b12378","","x-ray","1.54184","CuKα","","0.0491","0.0431","","","0.1104","0.1154","","","","","","1.053","","","","has coordinates,has disorder","193052","2020-10-21","18:00:00",""
"4125656","12.5845","0.0008","22.7005","0.0016","14.5054","0.001","90","","114.146","0.0017","90","","3781.3","0.4","240","","240","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C75 H102 O15 -","- C66 H84 O12 -","- C132 H168 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","","0.71073","MoKα","","0.0835","0.0498","","","0.1298","0.1436","","","","","","1.04","","","","has coordinates","193053","2020-10-21","18:00:00",""
"4125657","10.7372","0.0009","11.7516","0.0008","13.541","0.0011","95.142","0.006","94.75","0.007","102.165","0.006","1654.4","0.2","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H46 O6 -","- C37 H46 O6 -","- C74 H92 O12 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","","0.71073","MoKα","","0.1798","0.1055","","","0.2429","0.2957","","","","","","1.028","","","","has coordinates,has disorder","193054","2020-10-21","18:00:00",""
"4125658","11.612","0.0006","12.9629","0.0006","22.2541","0.0011","90","","91.391","0.003","90","","3348.8","0.3","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C148 H188 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","1.54178","CuKα","","0.0765","0.0586","","","0.1506","0.1663","","","","","","1.041","","","","has coordinates,has disorder","193055","2020-10-21","18:00:00",""
"4125659","11.9397","0.0009","21.1861","0.0016","23.6062","0.0017","89.286","0.002","87.831","0.002","81.84","0.002","5906.5","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H86 O12 -","- C63 H86 O12 -","- C252 H344 O48 -","4","2","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","0.71073","MoKα","","0.1203","0.0681","","","0.1672","0.197","","","","","","1.024","","","","has coordinates,has disorder","193056","2020-10-21","18:00:00",""
"4125660","13.4593","0.0003","24.9166","0.0006","30.9993","0.0008","79.836","0.002","87.531","0.002","74.592","0.002","9864.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H102 B2 F8 N4 O5 Pd -","- C104 H84 B2 F8 N4 O4 Pd -","- C416 H336 B8 F32 N16 O16 Pd4 -","4","2","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1177","0.0816","","","0.2149","0.2354","","","","","","1.071","","","","has coordinates","193057","2020-10-21","18:00:00",""
"4125661","11.229","0.016","6.209","0.009","14.14","0.02","90","","113.29","0.02","90","","906","2","130","2","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.2564","0.0959","","","0.1869","0.2626","","","","","","0.953","","","","has coordinates","193058","2020-10-21","18:00:00",""
"4125662","7.4292","0.0018","12.851","0.003","23.312","0.006","90","","90","","90","","2225.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Cl2 O4 -","- C23 H32 Cl2 O4 -","- C92 H128 Cl8 O16 -","4","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.104","0.0581","","","0.1301","0.1482","","","","","","0.999","","","","has coordinates","193059","2020-10-21","18:00:00",""
"4125663","7.7145","0.0009","9.0116","0.0011","14.7861","0.0017","84.679","0.002","80.262","0.002","67.698","0.002","936.87","0.19","130","","130","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0624","0.0464","","","0.1159","0.1269","","","","","","1.028","","","","has coordinates","193060","2020-10-21","18:00:00",""
"4125664","6.1968","0.0011","17.198","0.003","8.2164","0.0015","90","","109.494","0.004","90","","825.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0515","0.0462","","","0.1108","0.1151","","","","","","1.048","","","","has coordinates","193061","2020-10-21","18:00:00",""
"4125665","20.323","0.002","7.6843","0.0008","23.998","0.003","90","","90","","90","","3747.7","0.7","130","","130","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0787","0.0528","","","0.1069","0.1187","","","","","","1.012","","","","has coordinates","193062","2020-10-21","18:00:00",""
"4125666","26.455","0.003","25.742","0.003","13.1609","0.0015","90","","90","","90","","8962.6","1.8","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","CB8 Diadamantane 2,6-diammonium","CB8 Diadamantane 2,6-diammonium iodide chloride hydrate","","- C62 H111 Cl0.5 I1.5 N34 O35.5 -","- C62 H72 Cl0.5 I1.5 N34 O21.64 -","- C248 H288 Cl2 I6 N136 O86.56 -","4","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0656","0.0598","","","0.127","0.1295","","","","","","1.021","","","","has coordinates,has disorder","193063","2020-10-21","18:00:00",""
"4125667","24.202","0.002","31.566","0.003","42.811","0.004","90","","90","","90","","32706","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","CB7 diadamandate bis(anime dimethyl butylhydroxide iodide)","","- C68 H124 I2 N30 O33 -","- C68 H90 I0.5 N30 O18.836 -","- C1088 H1440 I8 N480 O301.376 -","16","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1175","0.0936","","","0.1789","0.1932","","","","","","0.928","","","","has coordinates","193064","2020-10-21","18:00:00",""
"4125668","35.943","0.012","13.474","0.005","33.885","0.012","90","","90","","90","","16410","10","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","CB","","- C55 H110.5 I N29 O36.25 -","- C55 H66 I0.763 N29 O14 -","- C440 H528 I6.104 N232 O112 -","8","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0845","0.0696","","","0.1558","0.1633","","","","","","1.015","","","","has coordinates,has disorder","193065","2020-10-21","18:00:00",""
"4125669","38.267","0.003","38.267","0.003","38.267","0.003","90","","90","","90","","56037","8","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","Na2[CB7@adm]3I5.57H2O","","- C165 H311.5 I5 N87 Na2 O98.75 -","- C165 H198 I4.953 N87 Na2 O90.532 -","- C1320 H1584 I39.624 N696 Na16 O724.256 -","8","0.333333","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0832","0.0666","","","0.1525","0.1618","","","","","","1.145","","","","has coordinates,has disorder","193066","2020-10-21","18:00:00",""
"4125670","14.128","0.004","15.305","0.004","22.851","0.006","78.395","0.003","82.588","0.003","77.521","0.003","4707","2","195","2","195","2","","","","","","","","5","P -1","-P 1","2","","CB8","","- C66 H138 I2 N34 O45 -","- C66 H80 I2 N34 O16 -","- C132 H160 I4 N68 O32 -","2","1","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1448","0.1136","","","0.2294","0.24","","","","","","1.055","","","","has coordinates","193067","2020-10-21","18:00:00",""
"4125671","28.832","0.002","28.832","0.002","18.2998","0.0015","90","","90","","90","","15212.3","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","CB7","","- C59 H93 I N29 O25.5 -","- C59 H70 I0.87 N29 O17.204 -","- C472 H560 I6.96 N232 O137.632 -","8","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.064","0.0489","","","0.097","0.1035","","","","","","1.134","","","","has coordinates,has disorder","193068","2020-10-21","18:00:00",""
"4125672","22.677","0.002","22.677","0.002","17.973","0.001","90","","90","","120","","8004.3","1.1","100","0.1","100","0.1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C154 H150 N17 O47 Tb9 -","- C144 H78 N12 O47 Tb9 -","- C144 H78 N12 O47 Tb9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1767","0.1733","","","0.3435","0.3443","","","","","","1.09","","","","has coordinates,has disorder","193069","2020-10-21","18:00:00",""
"4125673","19.985","0.002","17.414","0.001","20.09","0.002","90","","115.567","0.005","90","","6307.1","1","100","2","100.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Tb6 -","- C138 H81 O36 Tb6 -","- C138 H81 O36 Tb6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.2106","0.1843","","","0.4757","0.5045","","","","","","2.015","","","","has coordinates,has disorder","193070","2020-10-21","18:00:00",""
"4125674","18.998","0.001","17.5118","0.0007","19.567","0.001","90","","115.009","0.008","90","","5899.4","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Y6 -","- C152 H92 F2 O38 Y6 -","- C152 H92 F2 O38 Y6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.1597","0.1342","","","0.3634","0.3841","","","","","","1.41","","","","has coordinates,has disorder","193071","2020-10-21","18:00:00",""
"4125675","23.041","0.002","23.041","0.002","17.576","0.002","90","","90","","120","","8080.8","1.4","100","0.1","100","0.1","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C154 H148 Cl3 Fe3 N17 O47 Y9 -","- C144 H72 Cl3 Fe3 N12 O47 Y9 -","- C144 H72 Cl3 Fe3 N12 O47 Y9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.0833","0.0818","","","0.2374","0.2388","","","","","","1.026","","","","has coordinates,has disorder","193072","2020-10-21","18:00:00",""
"4125676","22.689","0.003","22.689","0.003","17.861","0.003","90","","90","","120","","7963","2","100","0.1","100","0.1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C154 H150 N17 O47 Y9 -","- C144 H84 N12 O47 Y9 -","- C144 H84 N12 O47 Y9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1169","0.1101","","","0.2851","0.2889","","","","","","1.032","","","","has coordinates,has disorder","193073","2020-10-21","18:00:00",""
"4125677","39.039","0.002","39.039","0.002","24.901","0.001","90","","90","","120","","32866","3","100","0.1","100","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C68.75 H49.58 In3 N0.58 O21.33 -","- C69.0001 H43.75 In3 N0.58335 O21.5833 -","- C828.001 H525 In36 N7.0002 O259 -","12","1","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54184","CuKα","","0.0827","0.0634","","","0.1964","0.2144","","","","","","0.85","","","","has coordinates,has disorder","193074","2020-10-21","18:00:00",""
"4125678","22.779","0.002","22.779","0.002","17.808","0.002","90","","90","","120","","8002.3","1.3","100","0.1","100","0.1","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C154 H154 N17 O50 Y9 Zn3 -","- C144 H72 N12 O50 Y9 Zn3 -","- C144 H72 N12 O50 Y9 Zn3 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1386","0.1283","","","0.267","0.2693","","","","","","1.051","","","","has coordinates,has disorder","193075","2020-10-21","18:00:00",""
"4125679","24.0888","0.0008","24.0888","0.0008","23.9689","0.0009","90","","90","","120","","12045.1","0.7","100","2","100","0.1","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C132 H90 Cu6 O36 -","- C132 H78 Cu6 O36 -","- C264 H156 Cu12 O72 -","2","0.0833333","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.2214","0.1845","","","0.5151","0.5606","","","","","","2.837","","","","has coordinates,has disorder","193076","2020-10-21","18:00:00",""
"4125680","24.1524","0.001","40.1868","0.0017","23.7972","0.0015","90","","118.944","0.002","90","","20212.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","PgC3OH, py, DMF, Mg","C-propan-3-ol pyrogallol[4]arene, pyridine, dimethylformamide, Magnesium","","- C352 H316 N24 Ni24 O124 -","- C352 H316 N24 Ni24 O124 -","- C704 H632 N48 Ni48 O248 -","2","0.25","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.1166","0.0898","","","0.2664","0.3089","","","","","","1.05","","","","has coordinates,has disorder","193077","2020-10-21","18:00:00",""
"4125681","37.979","0.001","37.979","0.001","22.4734","0.0007","90","","90","","120","","28072.8","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","PgC3OH, DMF, Ni","C-propan-3-ol pyrogallol[4]arene, dimethylformamide, nickel","","- C246 H204 N2 Ni24 O138 -","- C246 H204 N2 Ni24 O138 -","- C738 H612 N6 Ni72 O414 -","3","0.5","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.2247","0.1573","","","0.4324","0.5132","","","","","","1.984","","","","has coordinates","193078","2020-10-21","18:00:00",""
"4125682","5.93","0.0003","7.2867","0.0005","20.9055","0.0013","90","","90.331","0.003","90","","903.31","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 S -","- C10 H10 O2 S -","- C40 H40 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0435","0.0352","","","0.0817","0.0871","","","","","","1.064","","","","has coordinates","193079","2020-10-21","18:00:00",""
"4125683","5.4305","0.0005","14.9364","0.0014","12.9201","0.0012","90","","91.931","0.002","90","","1047.38","0.17","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O2 S -","- C23 H27 F2 N O2 S -","- C46 H54 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.044","0.0354","","","0.0751","0.0794","","","","","","1.038","","","","has coordinates","193080","2020-10-21","18:00:00",""
"4125684","13.4547","0.001","8.861","0.0007","11.071","0.001","90","","93.662","0.003","90","","1317.21","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0544","0.0395","","","0.0872","0.0951","","","","","","1.05","","","","has coordinates","193081","2020-10-21","18:00:00",""
"4125685","6.7986","0.0006","11.0791","0.0009","13.905","0.0011","90","","90","","90","","1047.36","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0401","0.0376","","","0.0953","0.0978","","","","","","1.05","","","","has coordinates","193082","2020-10-21","18:00:00",""
"4125686","5.5183","0.001","12.654","0.003","12.84","0.002","81.396","0.008","81.489","0.007","77.545","0.007","859.4","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F2 N O2 S -","- C18 H19 F2 N O2 S -","- C36 H38 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0532","0.0403","","","0.0945","0.1008","","","","","","1.051","","","","has coordinates","193083","2020-10-21","18:00:00",""
"4125687","9.5438","0.0002","5.9781","0.0001","35.8879","0.0007","90","","90.349","0.001","90","","2047.5","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","1.54178","CuKα","","0.0364","0.0335","","","0.0872","0.0973","","","","","","1.1535","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4125688","63.0604","0.0012","6.0203","0.0001","9.4894","0.0002","90","","98.123","0.001","90","","3566.44","0.12","125","","125","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0372","0.0338","","","0.079","0.0809","","","","","","1.076","","","","has coordinates","193085","2020-10-21","18:00:00",""
"4125689","7.9193","0.0011","8.1426","0.0012","10.5945","0.0018","104.903","0.004","109.324","0.003","99.177","0.003","600.17","0.16","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C12 H11 F3 O2 S -","- C12 H11 F3 O2 S -","- C24 H22 F6 O4 S2 -","2","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.039","0.0335","","","0.0794","0.0829","","","","","","1.025","","","","has coordinates,has disorder","193086","2020-10-21","18:00:00",""
"4125690","20.4678","0.0007","7.5827","0.0003","32.8729","0.0011","90","","90","","90","","5101.9","0.3","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.1294","0.0964","","","0.2146","0.2282","","","","","","1.649","","","","has coordinates,has disorder","193087","2020-10-21","18:00:00",""
"4125691","6.2528","0.0004","12.5234","0.0008","10.2768","0.0006","90","","91.269","0.002","90","","804.54","0.09","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","Nickel Pyridine carboxylate","'Nickel Pyridine carboxylate'","","- C15 H15 N3 Ni O5 -","- C15 H15 N3 Ni O5 -","- C30 H30 N6 Ni2 O10 -","2","1","","Nandi, Shyamapada; Collins, Sean; Chakraborty, Debanjan; Banerjee, Debasis; Thallapally, Praveen K.; Woo, Tom K.; Vaidhyanathan, Ramanathan","Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel Isonicotinate Metal-Organic Framework with Excellent Moisture Stability.","Journal of the American Chemical Society","2017","139","5","1734","1737","10.1021/jacs.6b10455","","","1.54178","CuKα","","0.038","0.0379","","","0.1032","0.1033","","","","","","1.055","","","","has coordinates","193088","2020-10-21","18:00:00",""
"4125692","7.742","0.003","7.223","0.003","5.956","0.002","90","","92.953","0.006","90","","332.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 S -","- C7 H8 S -","- C14 H16 S2 -","2","0.5","","Forbes, Christina R.; Sinha, Sudipta K.; Ganguly, Himal K.; Bai, Shi; Yap, Glenn P. A.; Patel, Sandeep; Zondlo, Neal J.","Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions.","Journal of the American Chemical Society","2017","139","5","1842","1855","10.1021/jacs.6b08415","","","0.71073","MoKα","","0.0809","0.0575","","","0.1597","0.1745","","","","","","1.077","","","","has coordinates,has disorder","193089","2020-10-21","18:00:00",""
"4125693","13.3911","0.0004","14.404","0.0005","17.522","0.0005","94.495","0.002","94.496","0.002","101.582","0.003","3285.37","0.18","172.95","0.1","172.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 Cl F6 N O2 Os P4 -","- C68 H60 Cl F6 N O2 Os P4 -","- C136 H120 Cl2 F12 N2 O4 Os2 P8 -","2","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.0287","0.0262","","","0.0687","0.0707","","","","","","1.084","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125694","21.9542","0.0004","17.4974","0.0003","22.3684","0.0004","90","","119.343","0.001","90","","7490.2","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Cl2 N O4 Os P3 S -","- C72 H60 Cl2 N O4 Os P3 S -","- C288 H240 Cl8 N4 O16 Os4 P12 S4 -","4","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.0768","0.0576","","","0.1479","0.1598","","","","","","1.065","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125695","23.7295","0.0005","13.9429","0.0002","20.7926","0.0004","90","","108.662","0.002","90","","6517.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 -","- C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 -","- C281.6 H251.2 B4 Cl7.2 F16 N4 O8 Os4 P12 -","4","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","1.54178","CuKα","","0.0796","0.0701","","","0.2051","0.2167","","","","","","1.084","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125696","11.6666","0.0004","12.6271","0.0004","22.2623","0.0006","93.498","0.002","98.272","0.002","108.058","0.003","3066.1","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H73 Cl4 N3 O3 Os P2 -","- C67 H67 Cl4 N3 O3 Os P2 -","- C134 H134 Cl8 N6 O6 Os2 P4 -","2","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.047","0.0392","","","0.0906","0.0936","","","","","","1.053","","","","has coordinates,has disorder","193090","2020-10-21","18:00:00",""
"4125697","4.035","0.006","5.763","0.008","14.35","0.02","90","","97.21","0.02","90","","331.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C12 H8 Br4 -","2","0.5","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.065","0.0629","","","0.1856","0.1884","","","","","","1.171","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125698","11.962","0.013","3.883","0.004","13.154","0.015","90","","104.983","0.015","90","","590.2","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 Cl2 F O2 -","- C13 H7 Cl2 F O2 -","- C26 H14 Cl4 F2 O4 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0596","0.0567","","","0.1451","0.1673","","","","","","1.107","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125699","15.465","0.019","3.935","0.005","19.66","0.02","90","","90.31","0.016","90","","1196","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0664","0.0545","","","0.1558","0.1899","","","","","","1.236","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125700","24.903","0.011","6.092","0.003","7.799","0.003","90","","98.59","0.005","90","","1169.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0516","0.0462","","","0.1314","0.16","","","","","","1.203","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125701","15.327","0.015","3.927","0.004","19.608","0.019","90","","90.909","0.014","90","","1180","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0595","0.0493","","","0.1393","0.1747","","","","","","1.217","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125702","16.492","0.018","3.855","0.004","19.83","0.02","90","","98.666","0.014","90","","1246","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C52 H28 Cl12 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0592","0.0523","","","0.1369","0.1648","","","","","","1.155","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125703","3.9952","0.0019","11.784","0.005","27.285","0.013","90","","90","","90","","1284.6","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 I N O4 -","- C13 H8 I N O4 -","- C52 H32 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0392","0.0361","","","0.0968","0.1242","","","","","","1.185","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125704","3.9824","0.0016","12.681","0.005","27.238","0.011","90","","90","","90","","1375.5","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 I N O4 -","- C14 H10 I N O4 -","- C56 H40 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0487","0.0452","","","0.1278","0.1471","","","","","","1.149","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125705","3.845","0.002","11.65","0.007","27.482","0.016","90","","90","","90","","1231","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br N O4 -","- C13 H8 Br N O4 -","- C52 H32 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0403","0.0367","","","0.0995","0.1322","","","","","","1.156","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125706","3.798","0.003","11.703","0.009","27.12","0.02","90","","90","","90","","1205.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C52 H32 Cl4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0519","0.0478","","","0.1163","0.1382","","","","","","1.092","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125707","3.843","0.003","12.597","0.008","27.201","0.018","90","","90","","90","","1316.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0446","0.0412","","","0.1061","0.1393","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125708","3.878","0.006","12.317","0.019","28.6","0.05","90","","90","","90","","1366","4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br F N O4 -","- C14 H9 Br F N O4 -","- C56 H36 Br4 F4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0663","0.0554","","","0.1448","0.1779","","","","","","1.128","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125709","13.74","0.02","11.042","0.019","7.666","0.013","90","","101.125","0.016","90","","1141","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br O2 -","- C13 H9 Br O2 -","- C52 H36 Br4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0685","0.0537","","","0.1265","0.1455","","","","","","1.118","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125710","14.896","0.008","11.086","0.006","7.596","0.004","90","","97.57","0.02","90","","1243.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl I O2 -","- C13 H8 Cl I O2 -","- C52 H32 Cl4 I4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0438","0.0407","","","0.1139","0.1373","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125711","15.862","0.011","3.822","0.003","19.238","0.013","90","","91.965","0.009","90","","1165.6","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl O3 -","- C14 H9 Cl O3 -","- C56 H36 Cl4 O12 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0507","0.0416","","","0.1056","0.1393","","","","","","1.17","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125712","27.0338","0.0005","27.0338","0.0005","16.1483","0.0004","90","","90","","120","","10220.5","0.4","100","2","100","","","","","","","","","5","R -3","-R 3","148","","","","- C23 H28.16 B F4 O1.75 -","- C23.0008 H28.1656 B F4 O1.749 -","- C414.014 H506.981 B18 F72 O31.482 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.71073","MoKα","","0.1622","0.1175","","","0.3065","0.3429","","","","","","1.029","","","","has coordinates,has disorder","193093","2020-10-21","18:00:00",""
"4125713","8.8549","0.0009","10.1984","0.001","20.531","0.002","81.077","0.002","86.856","0.002","66.166","0.002","1675.4","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H52 Co N4 Si4 -","- C25 H52 Co N4 Si4 -","- C50 H104 Co2 N8 Si8 -","2","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.0566","0.0368","","","0.0847","0.0926","","","","","","1.038","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125714","12.7758","0.001","13.6376","0.0011","21.6312","0.0017","90","","105.942","0.002","90","","3623.9","0.5","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 Co N3 Si2 -","- C33 H54 Co N3 Si2 -","- C132 H216 Co4 N12 Si8 -","4","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.069","0.0396","","","0.087","0.099","","","","","","1.012","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125715","10.2475","0.0019","20.416","0.004","14.107","0.003","90","","99.064","0.004","90","","2914.5","1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Co N2 -","- C33 H43 Co N2 -","- C132 H172 Co4 N8 -","4","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.0966","0.0465","","","0.0905","0.1072","","","","","","0.998","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125716","17.846","0.01","4.728","0.003","18.465","0.011","90","","111.556","0.008","90","","1449","1.5","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Pd S8 -","- C8 H8 Pd S8 -","- C32 H32 Pd4 S32 -","4","1","","Kato, Reizo; Cui, HengBo; Tsumuraya, Takao; Miyazaki, Tsuyoshi; Suzumura, Yoshikazu","Emergence of the Dirac Electron System in a Single-Component Molecular Conductor under High Pressure.","Journal of the American Chemical Society","2017","139","5","1770","1773","10.1021/jacs.6b12187","","","0.71075","MoKα","","","0.0346","","","","0.0798","","","","","","1.092","","","","has coordinates","193095","2020-10-21","18:00:00",""
"4125717","11.6613","0.0019","11.813","0.002","24.565","0.006","90","","90","","90","","3384","1.1","566","2","566","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br N O2 -","- C31 H30 Br N O2 -","- C124 H120 Br4 N4 O8 -","4","1","","Zhang, Lei; Zhang, Jian; Ma, Ji; Cheng, Dao-Juan; Tan, Bin","Highly Atroposelective Synthesis of Arylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction.","Journal of the American Chemical Society","2017","139","5","1714","1717","10.1021/jacs.6b09634","","","0.71","MoKα","","0.0947","0.0814","","","0.2243","0.2436","","","","","","1.025","","","","has coordinates","193096","2020-10-21","18:00:00",""
"4125718","3.4719","0.0003","30.764","0.004","11.0663","0.0013","90","","90.2099","0.0007","90","","1182","0.2","100","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 N4 O3 S4 -","- C8 H3 N4 O3 S4 -","- C32 H12 N16 O12 S16 -","4","1","","Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects.","Journal of the American Chemical Society","2017","139","4","1625","1635","10.1021/jacs.6b11779","","","0.71073","MoKα","","0.0534","0.036","","","0.0757","0.0818","","","","","","1.043","","","","has coordinates,has disorder","193097","2020-10-21","18:00:00",""
"4125719","25.0506","0.0002","23.9588","0.0002","14.9339","0.0002","90","","117.778","0.0005","90","","7930.13","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6.75 H1.25 N3.25 O3 S4 -","- C6.75 H1.25 N3.25 O3 S4 -","- C216 H40 N104 O96 S128 -","32","4","","Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects.","Journal of the American Chemical Society","2017","139","4","1625","1635","10.1021/jacs.6b11779","","","0.71073","MoKα","","0.0767","0.043","","","0.0731","0.0918","","","","","","1.391","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4125720","6.8628","0.0007","19.7443","0.0019","9.1054","0.0008","90","","111.017","0.003","90","","1151.71","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 B I2 O2 -","- C7 H13 B I2 O2 -","- C28 H52 B4 I8 O8 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.34139","GaKα","","0.0406","0.0402","","","0.1627","0.1635","","","","","","1.488","","","","has coordinates","193099","2020-10-21","18:00:00",""
"4125721","6.6124","0.0003","11.5841","0.0005","30.0883","0.0011","90","","92.3994","0.0018","90","","2302.7","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B O3 Si -","- C22 H37 B O3 Si -","- C88 H148 B4 O12 Si4 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.54178","CuKα","","0.0769","0.0702","","","0.1892","0.1948","","","","","","1.063","","","","has coordinates,has disorder","193100","2020-10-21","18:00:00",""
"4125722","43.652","0.002","43.652","0.002","11.4512","0.0007","90","","90","","120","","18896.9","1.7","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N30 O21 Zn6 -","- C252 H258 N30 O21 Zn6 -","- C756 H774 N90 O63 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.1348","0.0886","","","0.2048","0.2299","","","","","","1.026","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125723","43.9623","0.0012","43.9623","0.0012","11.3572","0.0005","90","","90","","120","","19009.2","1.1","173","2","173.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C228 H255 N24 O18 Zn6 -","- C228 H255 N24 O18 Zn6 -","- C684 H765 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.0757","0.0662","","","0.1846","0.1954","","","","","","1.036","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125724","43.6574","0.0017","43.6574","0.0017","11.5213","0.0006","90","","90","","120","","19017.3","1.4","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N24 O24 Zn6 -","- C252 H258 N24 O24 Zn6 -","- C756 H774 N72 O72 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.126","0.0959","","","0.2256","0.252","","","","","","1.035","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125725","43.7244","0.0016","43.7244","0.0016","11.683","0.0009","90","","90","","120","","19343.4","1.8","123","2","123.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C234 H258 N24 O18 Zn6 -","- C234 H258 N24 O18 Zn6 -","- C702 H774 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.179","0.0828","","","0.2383","0.2798","","","","","","1.128","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125726","9.5946","0.0003","16.4468","0.0005","18.9308","0.0006","98.641","0.003","104.363","0.003","90.039","0.002","2858.82","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl Mn N5 O6.5 -","- C28 H33 Cl Mn N5 O6.5 -","- C112 H132 Cl4 Mn4 N20 O26 -","4","2","","Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana","Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex.","Journal of the American Chemical Society","2017","139","4","1472","1484","10.1021/jacs.6b08394","","x-ray","0.71073","MoKα","","0.0476","0.044","","","0.1194","0.1211","","","","","","1.02","","","","has coordinates","193105","2020-10-21","18:00:00",""
"4125727","10.322","0.002","13.409","0.003","13.848","0.003","106.575","0.003","108.044","0.003","95.5983","0.0012","1709.9","0.6","253","2","253","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H37 Mn O2 P2 -","- C39 H37 Mn O2 P2 -","- C78 H74 Mn2 O4 P4 -","2","2","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0346","0.0302","","","0.0748","0.083","","","","","","1.034","","","","has coordinates","193106","2020-10-21","18:00:00",""
"4125728","15.724","0.003","15.989","0.003","17.291","0.004","88.888","0.011","75.797","0.008","65.447","0.007","3816.4","1.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H57 Cl5 Mn2 O4 P4 Rh2 -","- C79.5 H77 Cl5 Mn2 O4 P4 Rh2 -","- C159 H154 Cl10 Mn4 O8 P8 Rh4 -","2","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.1081","0.0676","","","0.1438","0.1803","","","","","","1.065","","","","has coordinates,has disorder","193107","2020-10-21","18:00:00",""
"4125729","6.7401","0.0003","11.1362","0.0004","13.6362","0.0005","90","","90","","90","","1023.52","0.07","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J.","Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands.","Journal of the American Chemical Society","2017","139","4","1412","1415","10.1021/jacs.6b12234","","","1.54178","CuKα","","0.0261","0.0254","","","0.0658","0.0667","","","","","","1.059","","","","has coordinates","193108","2020-10-21","18:00:00",""
"4125730","5.01871","0.00009","5.01871","0.00009","13.5879","0.0003","90","","90","","120","","296.392","0.01","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","GaFeO3_polar_corundum","- Fe Ga O3 -","- Fe Ga O3 -","- Fe6 Ga6 O18 -","6","0.333333","","Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J.","Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling.","Journal of the American Chemical Society","2017","139","4","1520","1531","10.1021/jacs.6b11128","","neutron","","","","0.0524","","","0.0509","","","","","","","","","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4125731","23.42","0.003","10.569","0.0015","22.221","0.003","90","","91.868","0.003","90","","5497.4","1.3","100","","100","","","","","","","","dichloromethane","9","C 1 2 1","C 2y","5","","","","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C210 H222 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0347","0.0306","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates,has disorder","296166","2024-11-29","15:16:35",""
"4125732","18.4625","0.0009","14.204","0.0007","7.6031","0.0004","90","","108.652","0.0018","90","","1889.13","0.17","100","","100","","","","","","","","dichlormethane","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","1.54178","Cu-Kα","","0.0502","0.0406","","","0.1082","0.1204","","","","","","1.123","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4125733","10.75","0.004","24.403","0.014","25.635","0.006","90","","90","","90","","6725","5","100","","100","","","","","","","","dichloromethane,pentane","9","P 21 21 21","P 2ac 2ab","19","","","","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C278 H252 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.1087","0.0681","","","0.1573","0.1859","","","","","","1.054","","","","has coordinates,has disorder","296166","2024-11-29","15:16:35",""
"4125734","10.983","0.0012","11.4243","0.0012","13.3626","0.0014","66.668","0.002","83.965","0.002","88.252","0.002","1530.9","0.3","100","","100","","","","","","","","dichloromethane,pentane","9","P 1","P 1","1","","","","- C55.5 H49 Au Cl2 F18 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","1","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0598","0.047","","","0.1046","0.1113","","","","","","1.016","","","","has coordinates,has disorder","296166","2024-11-29","15:16:35",""
"4125735","11.7711","0.0017","18.123","0.003","12.1515","0.0018","90","","113.687","0.003","90","","2373.9","0.6","100","","100","","","","","","","","dichloromethane","7","P 1 21 1","P 2yb","4","","","","- C51 H52 F6 N2 O4 P Sb -","- C51 H52 F6 N2 O4 P Sb -","- C102 H104 F12 N4 O8 P2 Sb2 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.057","0.0407","","","0.0764","0.0816","","","","","","1.054","","","","has coordinates,has disorder","296166","2024-11-29","15:16:35",""
"4125736","34.402","0.008","34.402","0.008","18.748","0.004","90","","90","","120","","19216","8","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H108 N6 O18 -","- C120 H96 N6 O18 -","- C720 H576 N36 O108 -","6","0.333333","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","0.71073","MoKα","","0.148","0.0713","","","0.1893","0.2245","","","","","","0.953","","","","has coordinates,has disorder","193115","2020-10-21","18:00:00",""
"4125737","32.3784","0.0006","9.7018","0.0002","20.6093","0.0003","90","","93.171","0.0006","90","","6464.1","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H33 Cl N2 O2 -","- C42 H32.5 N2 O2 -","- C336 H260 N16 O16 -","8","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.063","0.0571","","","0.1533","0.1594","","","","","","1.035","","","","has coordinates","193116","2020-10-21","18:00:00",""
"4125738","9.1275","0.0002","12.7976","0.0003","18.3106","0.0004","88.7303","0.0009","77.583","0.0009","74.5428","0.0009","2011.87","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H42 Cl2 N2 O6 -","- C49 H42 Cl2 N2 O6 -","- C98 H84 Cl4 N4 O12 -","2","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.0951","0.086","","","0.257","0.2691","","","","","","0.982","","","","has coordinates,has disorder","193117","2020-10-21","18:00:00",""
"4125739","9.4122","0.0003","10.5185","0.0003","24.5962","0.0007","97.5528","0.0009","90.645","0.001","102.097","0.001","2358.46","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 Cl2 N2 O6 -","- C57 H58 Cl2 N2 O6 -","- C114 H116 Cl4 N4 O12 -","2","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.0506","0.0459","","","0.1244","0.1286","","","","","","1.019","","","","has coordinates,has disorder","193118","2020-10-21","18:00:00",""
"4125740","9.3923","0.0002","10.7073","0.0002","12.7975","0.0003","90","","90","","90","","1287","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0305","0.0284","","","0.0714","0.0729","","","","","","1.052","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125741","9.3935","0.0002","10.7059","0.0003","12.8032","0.0003","90","","90","","90","","1287.56","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0268","0.0258","","","0.0657","0.0664","","","","","","1.036","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125742","8.5255","0.0002","12.7647","0.0004","13.2058","0.0004","90","","90","","90","","1437.13","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0292","0.0273","","","0.0684","0.0697","","","","","","1.056","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125743","8.5245","0.0002","12.7658","0.0004","13.2061","0.0004","90","","90","","90","","1437.12","0.07","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0287","0.0276","","","0.068","0.0689","","","","","","1.071","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125744","16.3242","0.0003","6.3756","0.0001","28.92","0.002","90","","90","","90","","3009.9","0.2","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","1.54187","CuKα","","0.0523","0.0486","","","0.1289","0.1329","","","","","","1.085","","","","has coordinates","193120","2020-10-21","18:00:00",""
"4125745","9.9985","0.0007","8.5859","0.0006","25.1456","0.0018","90","","93.281","0.002","90","","2155.1","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 O5 Si -","- C22 H30 O5 Si -","- C88 H120 O20 Si4 -","4","1","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","0.71073","MoKα","","0.0675","0.039","","","0.0839","0.0896","","","","","","0.843","","","","has coordinates,has disorder","193121","2020-10-21","18:00:00",""
"4125746","22.34","0.0012","16.695","0.0009","8.3236","0.0004","90","","103.833","0.002","90","","3014.4","0.3","100","2","99.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C176 H136 N8 O16 -","4","0.5","","Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R.","Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films.","Journal of the American Chemical Society","2017","139","2","663","671","10.1021/jacs.6b07721","","","1.54178","CuKα","","0.0472","0.0401","","","0.1106","0.1168","","","","","","1.056","","","","has coordinates","193122","2020-10-21","18:00:00",""
"4125747","36.0857","0.0014","4.8422","0.0002","32.6994","0.0012","90","","111.586","0.002","90","","5313","0.4","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","hPhTDIc8","","- C74 H62 N2 O4 -","- C74 H62 N2 O4 -","- C296 H248 N8 O16 -","4","0.5","","Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R.","Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films.","Journal of the American Chemical Society","2017","139","2","663","671","10.1021/jacs.6b07721","","","1.54178","CuKα","","0.1057","0.0689","","","0.1884","0.2165","","","","","","1.043","","","","has coordinates,has disorder","193123","2020-10-21","18:00:00",""
"4125748","13.4442","0.0016","7.1664","0.0009","24.537","0.003","90","","100.806","0.002","90","","2322.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 -","- C27 H27 Br N2 -","- C108 H108 Br4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0608","0.0364","","","0.0974","0.1084","","","","","","1.001","","","","has coordinates,has disorder","193124","2020-10-21","18:00:00",""
"4125749","13.1901","0.0012","7.1685","0.0007","24.018","0.002","90","","101.202","0.0012","90","","2227.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 -","- C27 H27 Br N2 -","- C108 H108 Br4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0338","0.0295","","","0.0791","0.0811","","","","","","1.065","","","","has coordinates","193125","2020-10-21","18:00:00",""
"4125750","13.3106","0.0019","7.0791","0.001","24.375","0.003","90","","100.278","0.002","90","","2259.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 I N2 -","- C27 H27 I N2 -","- C108 H108 I4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0624","0.0322","","","0.0557","0.061","","","","","","0.99","","","","has coordinates","193126","2020-10-21","18:00:00",""
"4125751","10.736","0.0003","7.55","0.0003","20.7875","0.0007","90","","93.636","0.003","90","","1681.58","0.1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O4 -","- C17.992 H19 N3 O4 -","- C71.968 H76 N12 O16 -","4","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0548","0.0448","","","0.0962","0.1045","","","","","","1.066","","","","has coordinates,has disorder","193127","2020-10-21","18:00:00",""
"4125752","6.7872","0.0003","11.6855","0.0005","10.8557","0.0005","90","","102.759","0.002","90","","839.73","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 B N3 O2 -","- C8 H8 B N3 O2 -","- C32 H32 B4 N12 O8 -","4","1","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.0337","0.0328","","","0.093","0.0943","","","","","","1.047","","","","has coordinates","193128","2020-10-21","18:00:00",""
"4125753","13.1494","0.0007","12.7371","0.0007","31.5681","0.0016","90","","101.788","0.0012","90","","5175.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pd-complx","","- C26 H21 F3 N4 O5 Pd S -","- C26 H21 F3 N4 O5 Pd S -","- C208 H168 F24 N32 O40 Pd8 S8 -","8","2","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0465","0.0308","","","0.0638","0.0697","","","","","","1.075","","","","has coordinates,has disorder","193129","2020-10-21","18:00:00",""
"4125754","30.3195","0.0017","11.3339","0.0006","17.6574","0.001","90","","118.758","0.0008","90","","5319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pd-complex","Pd-complex","","- C28 H29 N3 O6 Pd S -","- C28 H29 N3 O6 Pd S -","- C224 H232 N24 O48 Pd8 S8 -","8","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0438","0.0336","","","0.0659","0.0685","","","","","","1.387","","","","has coordinates,has disorder","193130","2020-10-21","18:00:00",""
"4125755","11.4454","0.0006","12.0069","0.0006","17.7137","0.0009","90","","97.0875","0.0008","90","","2415.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C26 H20 F3 N3 O3 Pd -","- C26 H20 F3 N3 O3 Pd -","- C104 H80 F12 N12 O12 Pd4 -","4","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0237","0.0218","","","0.0468","0.0478","","","","","","1.001","","","","has coordinates","193131","2020-10-21","18:00:00",""
"4125756","15.534","0.002","9.1331","0.0013","18.096","0.003","90","","100.943","0.002","90","","2520.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Pd-complex","Pd-complex","","- C26 H19 F3 N4 O3 Pd S -","- C26 H19 F3 N4 O3 Pd S -","- C104 H76 F12 N16 O12 Pd4 S4 -","4","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0246","0.021","","","0.0454","0.0472","","","","","","1","","","","has coordinates","193132","2020-10-21","18:00:00",""
"4125757","10.6068","0.0007","13.466","0.0009","16.6462","0.0011","89.972","0.005","85.8","0.005","67.854","0.005","2195.3","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57.5 Fe2 N4.5 S5 -","- C42 H57.5 Fe2 N4.5 S5 -","- C84 H115 Fe4 N9 S10 -","2","1","","Bergner, Marie; Dechert, Sebastian; Demeshko, Serhiy; Kupper, Claudia; Mayer, James M.; Meyer, Franc","Model of the MitoNEET [2Fe-2S] Cluster Shows Proton Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","2","701","707","10.1021/jacs.6b09180","","","0.71073","MoKα","","0.1273","0.0682","","","0.1169","0.134","","","","","","1.035","","","","has coordinates,has disorder","193133","2020-10-21","18:00:00",""
"4125758","10.9808","0.0006","14.8133","0.0008","28.4694","0.0015","90","","97.311","0.001","90","","4593.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.25 H52 N2 O P2 Ru -","- C52.25 H52 N2 O P2 Ru -","- C209 H208 N8 O4 P8 Ru4 -","4","1","","Waldie, Kate M.; Flajslik, Kristen R.; McLoughlin, Elizabeth; Chidsey, Christopher E. D.; Waymouth, Robert M.","Electrocatalytic Alcohol Oxidation with Ruthenium Transfer Hydrogenation Catalysts.","Journal of the American Chemical Society","2017","139","2","738","748","10.1021/jacs.6b09705","","","0.71073","MoKα","","0.0816","0.051","","","0.138","0.1561","","","","","","1.068","","","","has coordinates,has disorder","193134","2020-10-21","18:00:00",""
"4125759","17.6551","0.0008","9.0738","0.0002","21.9618","0.0015","90","","97.617","0.008","90","","3487.2","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Cl Ni P2 -","- C36 H66 Cl Ni P2 -","- C144 H264 Cl4 Ni4 P8 -","4","0.5","","Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J.","Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species.","Journal of the American Chemical Society","2017","139","2","922","936","10.1021/jacs.6b11412","","","0.71075","MoKα","","0.0281","0.0259","","","0.0642","0.0653","","","","","","1.081","","","","has coordinates","193135","2020-10-21","18:00:00",""
"4125760","9.443","0.0004","14.1318","0.0006","15.9349","0.0011","111.252","0.008","101.106","0.007","96.437","0.007","1905.9","0.2","161","","161","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Br Fe Ni O2 P2 -","- C42 H44 Br Fe Ni O2 P2 -","- C84 H88 Br2 Fe2 Ni2 O4 P4 -","2","1","","Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J.","Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species.","Journal of the American Chemical Society","2017","139","2","922","936","10.1021/jacs.6b11412","","x-ray","0.71075","MoKα","","0.0637","0.0509","","","0.1161","0.1226","","","","","","1.041","","","","has coordinates","193135","2020-10-21","18:00:00",""
"4125761","18.036","0.004","14.73","0.003","39.096","0.008","90","","98.71","0.03","90","","10267","4","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H100 Cl10 N12 O12 -","- C92 H100 Cl10 N12 O12 -","- C368 H400 Cl40 N48 O48 -","4","1","","Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang","Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions.","Journal of the American Chemical Society","2017","139","2","635","638","10.1021/jacs.6b12386","","","0.71073","MoKα","","0.1292","0.1145","","","0.3043","0.3151","","","","","","2.013","","","","has coordinates,has disorder","193136","2020-10-21","18:00:00",""
"4125762","15.087","0.005","17.675","0.005","18.954","0.005","90.351","0.009","101.081","0.006","114.785","0.005","4482","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H93 Cl9 N12 O12 -","- C90 H93 Cl9 N12 O12 -","- C180 H186 Cl18 N24 O24 -","2","1","","Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang","Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions.","Journal of the American Chemical Society","2017","139","2","635","638","10.1021/jacs.6b12386","","","0.71073","MoKα","","0.1331","0.1113","","","0.2245","0.2374","","","","","","1.198","","","","has coordinates,has disorder","288540","2023-12-24","01:16:02",""
"4125763","20.535","0.009","8.546","0.004","28.449","0.013","90","","90.715","0.006","90","","4992","4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C240 H204 N36 O12 Pd12 -","12","3","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.7107","MoKα","","0.1455","0.0867","","","0.2199","0.2783","","","","","","1.227","","","","has coordinates","193138","2020-10-21","18:00:00",""
"4125764","6.817","0.003","8.561","0.004","27.641","0.012","90","","90.536","0.007","90","","1613.1","1.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F N3 O Pd -","- C19 H14 F N3 O Pd -","- C76 H56 F4 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.71075","MoKα","","0.0651","0.0445","","","0.102","0.1202","","","","","","1.161","","","","has coordinates","193139","2020-10-21","18:00:00",""
"4125765","8.6326","0.0019","6.7718","0.0014","26.898","0.006","90","","96.149","0.004","90","","1563.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O Pd -","- C19 H15 N3 O Pd -","- C76 H60 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.71075","MoKα","","0.0403","0.035","","","0.1087","0.1157","","","","","","0.873","","","","has coordinates","193140","2020-10-21","18:00:00",""
"4125766","6.6497","0.0008","13.959","0.002","16.001","0.002","90","","97.167","0.012","90","","1473.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O Pd -","- C18 H13 N3 O Pd -","- C72 H52 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","x-ray","1.54184","CuKα","","0.1825","0.1212","","","0.2936","0.3805","","","","","","1.181","","","","has coordinates","193141","2020-10-21","18:00:00",""
"4125767","7.411","0.004","9.27","0.005","33.243","0.017","90","","94.575","0.007","90","","2277","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H46 D2 N4 O2 -","- C62 H46 D2 N4 O2 -","- C124 H92 D4 N8 O4 -","2","0.5","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.7107","MoKα","","0.0845","0.0706","","","0.146","0.1537","","","","","","1.185","","","","has coordinates","193142","2020-10-21","18:00:00",""
"4125768","7.4156","0.0006","18.973","0.002","20.2647","0.0013","90","","90","","90","","2851.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C112 H160 N16 O24 S8 -","8","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.048","0.0404","","","0.1009","0.1056","","","","","","1.067","","","","has coordinates","193143","2020-10-21","18:00:00",""
"4125769","8.2085","0.0005","23.7502","0.0015","7.368","0.0004","90","","112.863","0.001","90","","1323.57","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0843","0.0779","","","0.1507","0.2083","","","","","","1.077","","","","has coordinates","193144","2020-10-21","18:00:00",""
"4125770","7.3139","0.0006","11.178","0.001","12.6984","0.001","76.605","0.005","86.384","0.007","85.863","0.008","1006.13","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N4 O6 S2 -","- C41 H50 Cl2 N4 O6 S2 -","- C41 H50 Cl2 N4 O6 S2 -","1","0.5","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0394","0.0343","","","0.0891","0.0919","","","","","","1.033","","","","has coordinates,has disorder","193145","2020-10-21","18:00:00",""
"4125771","7.3081","0.0004","8.147","0.0004","14.0115","0.0009","98.749","0.002","96.772","0.001","112.872","0.002","745.2","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C28 H40 N4 O4 S2 -","2","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0361","0.0323","","","0.0855","0.0873","","","","","","1.056","","","","has coordinates","193146","2020-10-21","18:00:00",""
"4125772","15.283","0.0006","17.2358","0.0005","21.6574","0.0007","81.538","0.002","81.795","0.003","72.385","0.003","5348.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C150 H110 B6 F24 N26 O6 Pd3 -","- C150 H110 B6 F24 N26 O6 Pd3 -","- C150 H110 B6 F24 N26 O6 Pd3 -","1","0.5","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.5418","CuKα","","0.1206","0.0974","","","0.251","0.2651","","","","","","1.415","","","","has coordinates","193147","2020-10-21","18:00:00",""
"4125773","20.0327","0.0003","20.7974","0.0005","27.9988","0.0005","90","","90","","90","","11665.1","0.4","100","0.11","100","0.11","","","","","","","","7","F m m m","-F 2 2","69","","","","- C76 H44 B F4 N12 O2 Pd2 -","- C76 H44 B F4 N12 O2 Pd2 -","- C304 H176 B4 F16 N48 O8 Pd8 -","4","0.125","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.54184","CuKα","","0.0647","0.0627","","","0.2053","0.2105","","","","","","0.996","","","","has coordinates","193147","2020-10-21","18:00:00",""
"4125774","15.4305","0.0011","11.1187","0.0008","12.8932","0.0009","90","","116.126","0.004","90","","1986","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Fe O6 -","- C18 H30 Fe O6 -","- C72 H120 Fe4 O24 -","4","0.5","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","","0.71073","MoKα","","0.048","0.033","","","0.0866","0.095","","","","","","1.006","","","","has coordinates,has disorder","193148","2020-10-21","18:00:00",""
"4125775","5.2765","0.0005","8.7572","0.0007","9.3297","0.0008","75.803","0.007","82.097","0.007","76.752","0.007","405.3","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Fe O6 -","- C14 H26 Fe O6 -","- C14 H26 Fe O6 -","1","0.5","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","","0.71073","MoKα","","0.0312","0.0286","","","0.063","0.0643","","","","","","1.101","","","","has coordinates","193149","2020-10-21","18:00:00",""
"4125776","11.3761","0.0002","18.9915","0.0005","14.7639","0.0004","90","","105.013","0.0014","90","","3080.85","0.13","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Fe O6 -","- C27 H45 Fe O6 -","- C108 H180 Fe4 O24 -","4","1","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","x-ray","0.71073","MoKα","","0.1076","0.0579","","","0.1332","0.1599","","","","","","1.053","","","","has coordinates","193150","2020-10-21","18:00:00",""
"4125777","21.628","0.004","5.032","0.001","29.519","0.006","90","","104.322","0.002","90","","3112.8","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Br Cl N2 O3 -","- C13 H16 Br Cl N2 O3 -","- C104 H128 Br8 Cl8 N16 O24 -","8","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","0.71073","MoKα","","0.1253","0.0792","","","0.2131","0.2359","","","","","","1.107","","","","has coordinates","193151","2020-10-21","18:00:00",""
"4125778","21.5878","0.0015","5.0337","0.0003","14.653","0.0009","90","","104.612","0.005","90","","1540.79","0.17","173","2","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 Cl2 N2 O3 -","- C13 H16 Cl2 N2 O3 -","- C52 H64 Cl8 N8 O12 -","4","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","1.54178","CuKα","","0.0673","0.039","","","0.0854","0.1043","","","","","","1.093","","","","has coordinates","193152","2020-10-21","18:00:00",""
"4125779","7.25525","0.00005","19.25052","0.00014","7.53413","0.00005","90","","95.0908","0.0006","90","","1048.12","0.013","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0376","0.0375","","","0.0906","0.0908","","","","","","1.102","","","","has coordinates","193153","2020-10-21","18:00:00",""
"4125780","9.55555","0.00016","7.80421","0.0001","25.874","0.0004","90","","90.4089","0.0015","90","","1929.47","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 F O3 -","- C23 H31 F O3 -","- C92 H124 F4 O12 -","4","2","","Pitts, Cody Ross; Bume, Desta Doro; Harry, Stefan Andrew; Siegler, Maxime A.; Lectka, Thomas","Multiple Enone-Directed Reactivity Modes Lead to the Selective Photochemical Fluorination of Polycyclic Terpenoid Derivatives.","Journal of the American Chemical Society","2017","139","6","2208","2211","10.1021/jacs.7b00335","","","1.54178","CuKα","","0.0387","0.0384","","","0.0998","0.1002","","","","","","1.038","","","","has coordinates,has disorder","193154","2020-10-21","18:00:00",""
"4125781","6.3278","0.0015","7.8999","0.0019","15.744","0.004","90","","90","","90","","787","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 N2 O2 S4 -","- C6 N2 O2 S4 -","- C24 N8 O8 S16 -","4","0.5","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0368","0.033","","","0.0758","0.0952","","","","","","1.181","","","","has coordinates","193155","2020-10-21","18:00:00",""
"4125782","13.1616","0.0008","16.236","0.001","6.2846","0.0004","90","","95.715","0.001","90","","1336.29","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H F3 N2 O5 S5 -","- C7 H F3 N2 O5 S5 -","- C28 H4 F12 N8 O20 S20 -","4","1","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0386","0.0304","","","0.0688","0.0755","","","","","","1.045","","","","has coordinates","193156","2020-10-21","18:00:00",""
"4125783","8.7071","0.0009","18.0486","0.0019","23.181","0.003","90","","97.786","0.002","90","","3609.3","0.7","100","2","100","2","","","","","","","see paper","5","P 1 21/n 1","-P 2yn","14","","Pentamethyl-hapto-5-cyclopentadienyl-chloro-1-hydroxycyclohexyl-prop-2-ynyl-ruthenium(ii)","","- C19 H29 Cl O Ru -","- C19 H29 Cl O Ru -","- C152 H232 Cl8 O8 Ru8 -","8","2","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0961","0.0469","","","0.0877","0.1028","","","","","","1.019","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125784","14.0577","0.0008","8.4937","0.0003","15.6148","0.0007","90","","106.404","0.003","90","","1788.54","0.15","100","2","100","2","","","","","","","diethylether","6","P 1 21/c 1","-P 2ybc","14","","Pentamethyl-hapto-5-cyclopentadienyl-chloro-1-hydroxy-1,1-di(trifluoromethyl)- but-2-ynyl-ruthenium(ii)","","- C16 H19 Cl F6 O Ru -","- C16 H19 Cl F6 O Ru -","- C64 H76 Cl4 F24 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0232","0.0213","","","0.0559","0.0577","","","","","","1.079","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125785","17.577","0.002","8.656","0.0012","32.749","0.004","90","","90","","90","","4982.6","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","7","P b c a","-P 2ac 2ab","61","","1N-(1-prop-2-ynyl-cyclohexyl)-4-methyl-benzenesulfonamide","","- C26 H36 Cl N O2 Ru S -","- C26 H36 Cl N O2 Ru S -","- C208 H288 Cl8 N8 O16 Ru8 S8 -","8","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0294","0.0259","","","0.0551","0.0563","","","","","","1.197","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125786","8.3798","0.0003","15.161","0.002","13.0046","0.0009","90","","99.954","0.006","90","","1627.3","0.3","100","2","100","2","","","","","","","pentane","5","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-chloro-2-hydroxy-3-hexyne-ruthenium(ii)","","- C16 H25 Cl O Ru -","- C16 H25 Cl O Ru -","- C64 H100 Cl4 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0639","0.0393","","","0.0745","0.0831","","","","","","1.042","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125787","8.4796","0.0004","9.6569","0.0003","11.3596","0.0007","103.839","0.004","95.099","0.005","111.774","0.003","822.33","0.08","100","2","100","2","","","","","","","pentane","5","P -1","-P 1","2","","pentamethylcyclopentadienyl-chloro-2-hydroxy-3-hexyne-ruthenium(ii)","","- C16 H25 Cl O Ru -","- C16 H25 Cl O Ru -","- C32 H50 Cl2 O2 Ru2 -","2","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0512","0.0401","","","0.0969","0.1047","","","","","","1.049","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125788","11.375","0.008","21.717","0.015","19.94","0.014","90","","94.351","0.014","90","","4912","6","100","2","100","2","","","","","","","pentane","4","P 1 21/n 1","-P 2yn","14","","tetrakis(pentamethylcyclopentadienyl-ruthenium-chloride) 4,4-dimethyl-2-pentyne","","- C47 H72 Cl4 Ru4 -","- C47 H72 Cl4 Ru4 -","- C188 H288 Cl16 Ru16 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0459","0.0308","","","0.0889","0.1006","","","","","","0.912","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125789","15.146","0.008","8.397","0.005","17.685","0.01","90","","95.953","0.01","90","","2237","2","100","2","100","2","","","","","","","pentane","7","P 1 21/c 1","-P 2ybc","14","","pentamethylcyclopentadienyl-chloro-trimethylphosphine-1,1,1- trifluoro-2-hydroxy-2(trifluoromethyl)-3-pentyne-ruthenium(ii)","","- C19 H28 Cl F6 O P Ru -","- C19 H28 Cl F6 O P Ru -","- C76 H112 Cl4 F24 O4 P4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.042","0.0355","","","0.0827","0.0856","","","","","","1.144","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125790","8.7929","0.0013","12.2158","0.0018","20.666","0.003","90","","99.091","0.002","90","","2191.9","0.6","100","2","100","2","","","","","","","pentane","7","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-chloro-pyridyl-1,1,1- trifluoro-2-hydroxy-2(trifluoromethyl)-3-pentyne-ruthenium(ii)","","- C21 H24 Cl F6 N O Ru -","- C21 H24 Cl F6 N O Ru -","- C84 H96 Cl4 F24 N4 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0309","0.0221","","","0.0507","0.0538","","","","","","1.023","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125791","11.464","0.0004","13.5176","0.0005","17.7065","0.0006","79.166","0.002","83.578","0.002","66.499","0.002","2469.38","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H64 Ce F6 Li N7 O3 -","- C47 H64 Ce F6 Li N7 O3 -","- C94 H128 Ce2 F12 Li2 N14 O6 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0566","0.041","","","0.0927","0.1002","","","","","","1.053","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125792","19.7839","0.0005","19.5288","0.0004","25.0902","0.0005","90","","90","","90","","9693.7","0.4","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H66 Ce F6 Li N5 O5 -","- C49 H66 Ce F6 Li N5 O5 -","- C392 H528 Ce8 F48 Li8 N40 O40 -","8","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0805","0.0515","","","0.1174","0.1314","","","","","","1.046","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125793","11.0902","0.0011","28.429","0.003","16.8064","0.0017","90","","93.708","0.005","90","","5287.7","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Ce F6 N5 O7 Rb -","- C49 H68 Ce F6 N5 O7 Rb -","- C196 H272 Ce4 F24 N20 O28 Rb4 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0289","0.0252","","","0.0595","0.0612","","","","","","1.045","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125794","11.1543","0.001","28.543","0.002","16.8906","0.0014","90","","93.714","0.004","90","","5366.3","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Ce Cs F6 N5 O7 -","- C49 H68 Ce Cs F6 N5 O7 -","- C196 H272 Ce4 Cs4 F24 N20 O28 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0454","0.0301","","","0.0623","0.0676","","","","","","1.011","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125795","11.767","0.0005","11.964","0.0006","25.5445","0.0012","95.034","0.002","95.122","0.002","117.863","0.001","3132.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H84 Ce Cs F6 N7 O9 -","- C59 H84 Ce Cs F6 N7 O9 -","- C118 H168 Ce2 Cs2 F12 N14 O18 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0501","0.0426","","","0.1086","0.1154","","","","","","1.072","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125796","12.1955","0.0006","19.2723","0.0009","19.6671","0.0009","61.128","0.002","72.629","0.003","74.641","0.003","3822.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Ce N4 O4 Si -","- C36 H54 Ce N4 O4 Si -","- C144 H216 Ce4 N16 O16 Si4 -","4","2","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.1201","0.0695","","","0.1546","0.1872","","","","","","1.058","","","","has coordinates,has disorder","193158","2020-10-21","18:00:00",""
"4125797","18.8613","0.0006","19.5186","0.0007","25.8496","0.0008","75.561","0.002","71.443","0.002","70.556","0.002","8396.9","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C164 H244 Ce4 N16 O24 Rb4 -","- C164 H244 Ce4 N16 O24 Rb4 -","- C328 H488 Ce8 N32 O48 Rb8 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0658","0.0407","","","0.0949","0.1094","","","","","","1.05","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125798","13.4015","0.0003","16.3553","0.0004","8.0023","0.0002","90","","104.143","0.001","90","","1700.82","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 F6 N -","- C21 H13 F6 N -","- C84 H52 F24 N4 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0456","0.0337","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates,has disorder","193158","2020-10-21","18:00:00",""
"4125799","16.166","0.0006","13.71","0.0005","19.9425","0.0007","90","","92.391","0.002","90","","4416.1","0.3","110.15","","110.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 Cl2 Ni P2 -","- C42 H84 Cl2 Ni P2 -","- C168 H336 Cl8 Ni4 P8 -","4","1","","Kharel, Sugam; Joshi, Hemant; Bierschenk, Stephen; Stollenz, Michael; Taher, Deeb; Bhuvanesh, Nattamai; Gladysz, John A.","Homeomorphic Isomerization as a Design Element in Container Molecules; Binding, Displacement, and Selective Transport of MCl2 Species (M = Pt, Pd, Ni).","Journal of the American Chemical Society","2017","139","6","2172","2175","10.1021/jacs.6b12788","","","1.54178","CuKα","","0.0694","0.0564","","","0.1318","0.138","","","","","","1.041","","","","has coordinates","193159","2020-10-21","18:00:00",""
"4125800","6.2867","0.0002","11.639","0.0004","14.1583","0.0005","89.836","0.003","81.364","0.003","83.017","0.003","1016.51","0.06","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H36 O -","- C23 H36 O -","- C46 H72 O2 -","2","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.5418","CuKα","","0.0546","0.0537","","0.162","0.1616","0.162","","","","","","1.06","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125801","8.878","0.0001","10.7076","0.0001","19.1836","0.0002","90","","100.818","0.0007","90","","1791.22","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F3 O -","- C20 H27 F3 O -","- C80 H108 F12 O4 -","4","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.5418","CuKα","","0.0404","0.0402","","0.1101","0.1098","0.1101","","","","","","1.001","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125802","15.6288","0.0003","6.0197","0.0001","23.2786","0.0004","90","","105.14","0.0008","90","","2114.05","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","0.71073","MoKα","","0.0622","0.0452","","0.1193","0.1067","0.1193","","","","","","1.0107","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125803","8.7086","0.0004","9.1288","0.0004","24.7749","0.0006","84.564","0.003","84.328","0.003","81.969","0.003","1934.16","0.13","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 O -","- C23 H34 O -","- C92 H136 O4 -","4","2","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.54184","CuKα","","0.059","0.0533","","0.1697","0.1556","0.1694","","","","","","0.9927","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125804","17.8727","0.0002","18.7412","0.0002","19.8363","0.0002","66.321","0.001","67.01","0.001","69.406","0.001","5449.88","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.67 H84 F12 N27.33 O15 P2 -","- C56.6667 H82 F12 N27.3333 O15.0001 P2 -","- C170 H246 F36 N82 O45.0004 P6 -","3","1.5","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0638","0.0617","","","0.1767","0.1792","","","","","","1.027","","","","has coordinates,has disorder","193162","2020-10-21","18:00:00",""
"4125805","11.9917","0.0003","15.268","0.0005","21.2185","0.0005","95.821","0.002","91","0.002","107.853","0.003","3673.9","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 B F4 N25 O16 -","- C52 H83 B F4 N25 O16 -","- C104 H166 B2 F8 N50 O32 -","2","1","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0688","0.0623","","","0.1791","0.1853","","","","","","1.027","","","","has coordinates,has disorder","193163","2020-10-21","18:00:00",""
"4125806","11.142","0.002","36.046","0.007","36.238","0.007","90","","90.06","0.03","90","","14554","5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H36 Fe O3 P2 -","- C22 H36 Fe O3 P2 -","- C528 H864 Fe24 O72 P48 -","24","12","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.8","","","0.0991","0.0933","","","0.2589","0.2746","","","","","","1.132","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125807","11.1787","0.0005","10.1691","0.0004","13.5949","0.0006","90","","112.182","0.002","90","","1431.05","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 Cl Fe O4 P2 -","- C26 H43 Cl Fe O4 P2 -","- C52 H86 Cl2 Fe2 O8 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0451","0.0436","","","0.1117","0.1125","","","","","","1.077","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125808","9.5234","0.0003","11.7435","0.0003","12.329","0.0004","82.598","0.002","82.607","0.002","69.849","0.001","1278.39","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 Br3 Fe O3 P2 -","- C22 H33 Br3 Fe O3 P2 -","- C44 H66 Br6 Fe2 O6 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0545","0.0406","","","0.0832","0.0883","","","","","","1.068","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125809","14.8666","0.0016","12.0744","0.0013","16.2967","0.0018","90","","117.105","0.005","90","","2604.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H76 Fe2 O8 P4 -","- C51 H76 Fe2 O8 P4 -","- C102 H152 Fe4 O16 P8 -","2","0.5","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0381","0.0306","","","0.0753","0.0802","","","","","","1.028","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125810","8.3823","0.0003","26.3852","0.0007","8.9783","0.0003","90","","116.224","0.005","90","","1781.34","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 B F6 N2 O2 -","- C16 H11 B F6 N2 O2 -","- C64 H44 B4 F24 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0614","0.0506","","","0.1361","0.1526","","","","","","1.128","","","","has coordinates,has disorder","193165","2020-10-21","18:00:00",""
"4125811","7.4226","0.001","25.677","0.004","10.9888","0.0016","90","","109.143","0.016","90","","1978.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B2 Cl4 N4 O4 -","- C40 H34 B2 Cl4 N4 O4 -","- C80 H68 B4 Cl8 N8 O8 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1088","0.074","","","0.1756","0.1997","","","","","","1.048","","","","has coordinates,has disorder","193166","2020-10-21","18:00:00",""
"4125812","14.9982","0.0006","10.8389","0.0003","13.0251","0.0005","90","","93.653","0.003","90","","2113.11","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 B2 N4 O4 S -","- C20 H18 B2 N4 O4 S -","- C80 H72 B8 N16 O16 S4 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0573","0.0429","","","0.1007","0.11","","","","","","1.059","","","","has coordinates","193167","2020-10-21","18:00:00",""
"4125813","14.6436","0.0013","3.921","0.0003","28.941","0.003","90","","104.749","0.009","90","","1607","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B F3 N2 O2 -","- C18 H12 B F3 N2 O2 -","- C72 H48 B4 F12 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1124","0.0877","","","0.2067","0.2258","","","","","","1.151","","","","has coordinates","193168","2020-10-21","18:00:00",""
"4125814","6.797","0.0003","9.802","0.0005","10.6491","0.0006","113.714","0.005","93.663","0.004","96.856","0.004","640.03","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0405","0.0319","","","0.0857","0.0897","","","","","","1.098","","","","has coordinates,has disorder","193169","2020-10-21","18:00:00",""
"4125815","13.5305","0.0011","14.1551","0.0011","8.1397","0.0006","90","","95.118","0.007","90","","1552.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B Br2 N2 O2 -","- C14 H11 B Br2 N2 O2 -","- C56 H44 B4 Br8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0729","0.0396","","","0.0773","0.0914","","","","","","1.038","","","","has coordinates","193170","2020-10-21","18:00:00",""
"4125816","10.1517","0.0006","11.1294","0.0008","11.391","0.0007","80.742","0.006","86.043","0.005","80.122","0.006","1250.25","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H48 B6 N8 O12 -","- C50 H48 B6 N8 O12 -","- C50 H48 B6 N8 O12 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0553","0.0418","","","0.108","0.1184","","","","","","0.956","","","","has coordinates","193171","2020-10-21","18:00:00",""
"4125817","7.269","0.0005","23.218","0.0018","9.897","0.0008","90","","97.038","0.007","90","","1657.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F2 N2 O2 -","- C18 H13 B F2 N2 O2 -","- C72 H52 B4 F8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","x-ray","1.54184","CuKα","","0.0814","0.0545","","","0.1368","0.1514","","","","","","1.047","","","","has coordinates","193172","2020-10-21","18:00:00",""
"4125818","7.4105","0.0009","20.0298","0.0015","9.3908","0.0012","90","","109.863","0.014","90","","1311","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B2 N4 O6 -","- C28 H26 B2 N4 O6 -","- C56 H52 B4 N8 O12 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.102","0.0618","","","0.1184","0.1362","","","","","","1.084","","","","has coordinates","193173","2020-10-21","18:00:00",""
"4125819","7.4225","0.0015","23.717","0.005","11.927","0.002","90","","107.92","0.02","90","","1997.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F6 N2 O2 -","- C20 H13 B F6 N2 O2 -","- C80 H52 B4 F24 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1101","0.0619","","","0.1601","0.2076","","","","","","1.039","","","","has coordinates","193174","2020-10-21","18:00:00",""
"4125820","12.676","0.002","11.7614","0.0019","9.4574","0.0014","90","","97.256","0.015","90","","1398.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H12 B Cl N2 O2 -","- C14 H12 B Cl N2 O2 -","- C56 H48 B4 Cl4 N8 O8 -","4","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0567","0.0424","","","0.1085","0.1169","","","","","","1.062","","","","has coordinates","193175","2020-10-21","18:00:00",""
"4125821","12.6482","0.0013","11.8379","0.0011","9.6038","0.0008","90","","97.379","0.009","90","","1426.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H12 B Br N2 O2 -","- C14 H12 B Br N2 O2 -","- C56 H48 B4 Br4 N8 O8 -","4","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0749","0.0438","","","0.0966","0.1114","","","","","","1.024","","","","has coordinates","193176","2020-10-21","18:00:00",""
"4125822","7.9753","0.0009","10.291","0.002","10.73","0.003","109.53","0.02","105.321","0.017","104.113","0.013","745.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 B2 N4 O4 -","- C32 H34 B2 N4 O4 -","- C32 H34 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0604","0.0485","","","0.1233","0.1318","","","","","","1.047","","","","has coordinates","193177","2020-10-21","18:00:00",""
"4125823","11.6218","0.001","11.2692","0.0009","13.6669","0.001","90","","100.367","0.008","90","","1760.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B N2 O2 -","- C18 H21 B N2 O2 -","- C72 H84 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1067","0.0883","","","0.2279","0.2565","","","","","","1.028","","","","has coordinates,has disorder","193178","2020-10-21","18:00:00",""
"4125824","16.2149","0.0005","19.0932","0.0006","11.5026","0.0003","90","","106.996","0.001","90","","3405.61","0.18","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H55 Co N O4 P2 -","- C30 H55 Co N O4 P2 -","- C120 H220 Co4 N4 O16 P8 -","4","2","","Obligacion, Jennifer V.; Bezdek, Máté J; Chirik, Paul J.","C(sp(2))-H Borylation of Fluorinated Arenes Using an Air-Stable Cobalt Precatalyst: Electronically Enhanced Site Selectivity Enables Synthetic Opportunities.","Journal of the American Chemical Society","2017","139","7","2825","2832","10.1021/jacs.6b13346","","","1.54178","CuKα","","0.0398","0.0388","","","0.1027","0.1035","","","","","","1.209","","","","has coordinates","193180","2020-10-21","18:00:00",""
"4125825","10.6185","0.0002","13.687","0.0003","7.4015","0.0002","90","","108.19","0.001","90","","1021.94","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 Fe0.5 N0.5 O3 S -","- C8 H7 F3 Fe0.5 N0.5 O3 S -","- C32 H28 F12 Fe2 N2 O12 S4 -","4","1","","Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut","Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment.","Journal of the American Chemical Society","2017","139","7","2808","2815","10.1021/jacs.6b13085","","","0.71073","MoKα","","0.028","0.0276","","","0.064","0.0642","","","","","","1.253","","","","has coordinates,has disorder","193181","2020-10-21","18:00:00",""
"4125826","9.4324","0.0004","34.7348","0.0014","17.2141","0.0007","90","","91.997","0.001","90","","5636.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H79 P Pt S2 -","- C62 H63 P Pt S2 -","- C248 H252 P4 Pt4 S8 -","4","1","","Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut","Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment.","Journal of the American Chemical Society","2017","139","7","2808","2815","10.1021/jacs.6b13085","","","0.71073","MoKα","","0.0562","0.0416","","","0.0754","0.0803","","","","","","1.136","","","","has coordinates","193182","2020-10-21","18:00:00",""
"4125827","10.385","0.003","19.96","0.005","10.896","0.003","90","","90.114","0.006","90","","2258.6","1.1","93.15","","93","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C28 H28 B2 -","- C28 H28 B2 -","- C112 H112 B8 -","4","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.132","0.0831","","","0.1813","0.2136","","","","","","1.012","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125828","40.6","0.02","6.991","0.002","17.968","0.007","90","","115.905","0.004","90","","4587","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 B2 -","- C28 H30 B2 -","- C224 H240 B16 -","8","1","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.1039","0.0933","","","0.2519","0.2648","","","","","","1.079","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125829","15.4038","0.0012","12.2332","0.0008","17.2715","0.0013","90","","98.024","0.007","90","","3222.7","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B N -","- C19 H20 B N -","- C152 H160 B8 N8 -","8","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71073","MoKα","","0.1455","0.0701","","","0.1541","0.2076","","","","","","1.048","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125830","24.412","0.006","24.412","","24.412","","90","","90","","90","","14548","4","110","2","110","2","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- Cd54 O4 Se80 -","- Cd54 O4 Se80 -","- Cd54 O4 Se80 -","1","0.0416667","","Levchenko, Tetyana I.; Kübel, Christian; Khalili Najafabadi, Bahareh; Boyle, Paul D.; Cadogan, Carolyn; Goncharova, Lyudmila V.; Garreau, Alexandre; Lagugné-Labarthet, François; Huang, Yining; Corrigan, John F.","Luminescent CdSe Superstructures: A Nanocluster Superlattice and a Nanoporous Crystal.","Journal of the American Chemical Society","2017","139","3","1129","1144","10.1021/jacs.6b10490","","","0.71073","MoKα","","0.1717","0.1109","","","0.2345","0.2694","","","","","","7.278","","","","has coordinates","193184","2020-10-21","18:00:00",""
"4125831","26.6098","0.0009","7.296","0.0002","28.9626","0.0009","90","","110.651","0.003","90","","5261.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.(Et,H2O)","","","- C24 H16 Fe N12 O2 Pd -","- C24 H16 Fe N12 O2 Pd -","- C192 H128 Fe8 N96 O16 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","0.71073","MoKα","","0.1231","0.091","","","0.2158","0.2403","","","","","","1.062","","","","has coordinates,has disorder","193185","2020-10-21","18:00:00",""
"4125832","26.4752","0.0002","7.4361","0.0003","29.3821","0.0003","90","","109.99","0.001","90","","5436","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.3(H2O)","","","- C22 H16 Fe N12 O3 Pd -","- C22 H16 Fe N12 O3 Pd -","- C176 H128 Fe8 N96 O24 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.54184","CuKα","","0.0561","0.0491","","","0.1435","0.1495","","","","","","1.085","","","","has coordinates","193186","2020-10-21","18:00:00",""
"4125833","10.532","0.002","20.908","0.004","12.844","0.003","90","","102.278","0.004","90","","2763.6","1","100","0.2","100","0.2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C112 H112 Cl8 Cu2 F6 N8 O6 Pd2 S2 -","2","1","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0508","0.0383","","","0.0777","0.083","","","","","","1.037","","","","has coordinates,has disorder","193187","2020-10-21","18:00:00",""
"4125834","14.6614","0.0002","6.76028","0.0001","17.1457","0.0002","90","","92.7294","0.0012","90","","1697.47","0.04","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F2 N4 -","- C21 H13 B F2 N4 -","- C84 H52 B4 F8 N16 -","4","1","","Qian, Hai; Wang, Yu-Ying; Guo, Dong-Sheng; Aprahamian, Ivan","Controlling the Isomerization Rate of an Azo-BF2 Switch Using Aggregation.","Journal of the American Chemical Society","2017","139","3","1037","1040","10.1021/jacs.6b10982","","","1.54178","CuKα","","0.0779","0.0474","","","0.1177","0.1342","","","","","","1.027","","","","has coordinates","193188","2020-10-21","18:00:00",""
"4125835","30.9319","0.0018","18.2206","0.001","19.219","0.0011","90","","127.608","0.001","90","","8581","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H37 Cl4 Cu F6 N2 S2 -","- C46 H37 Cl4 Cu F6.003 N2 S2 -","- C368 H296 Cl32 Cu8 F48.024 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0833","0.0544","","","0.116","0.1268","","","","","","1.047","","","","has coordinates,has disorder","193189","2020-10-21","18:00:00",""
"4125836","12.5124","0.0008","9.5784","0.0006","18.2174","0.0012","90","","94.815","0.002","90","","2175.6","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H7 Cl4 Cu F6 N3 O2 -","- C17 H7 Cl4 Cu F6 N3 O2 -","- C68 H28 Cl16 Cu4 F24 N12 O8 -","4","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0315","0.0271","","","0.0649","0.0667","","","","","","1.051","","","","has coordinates","193190","2020-10-21","18:00:00",""
"4125837","12.4145","0.0003","17.6411","0.0004","18.8543","0.0005","90","","98.815","0.002","90","","4080.42","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H16 Cl8 Cu2 F12 N4 O2 -","- C34 H16 Cl8 Cu2 F12 N4 O2 -","- C136 H64 Cl32 Cu8 F48 N16 O8 -","4","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.04","0.0281","","","0.0658","0.0692","","","","","","1.048","","","","has coordinates","193191","2020-10-21","18:00:00",""
"4125838","8.0134","0.0005","11.9127","0.0007","13.9735","0.0008","102.98","0.001","91.754","0.001","101.233","0.001","1271.08","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cl4 Cu F6 N3 O3 -","- C21 H15 Cl4 Cu F6 N3 O3 -","- C42 H30 Cl8 Cu2 F12 N6 O6 -","2","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0256","0.0235","","","0.0589","0.0599","","","","","","1.052","","","","has coordinates","193192","2020-10-21","18:00:00",""
"4125839","16.5654","0.0009","23.626","0.002","30.091","0.002","90","","103.843","0.003","90","","11434.8","1.4","100","1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C360 H300 Ag46 Cl14 P20 Pt4 -","2","0.5","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Harb, Moussab; Maity, Niladri; Shkurenko, Aleksander; Parida, Manas R.; Hedhili, Mohamed N.; Eddaoudi, Mohamed; Mohammed, Omar F.; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters.","Journal of the American Chemical Society","2017","139","3","1053","1056","10.1021/jacs.6b11875","","","1.54178","CuKα","","0.2247","0.1646","","","0.444","0.4827","","","","","","2.015","","","","has coordinates,has disorder","193193","2020-10-21","18:00:00",""
"4125840","8.2737","0.0005","14.9975","0.0009","48.44","0.003","90","","91.96","0.004","90","","6007.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HV-04-024","sarpong125","","- C33 H38 N4 O Si -","- C33 H38 N4 O Si -","- C264 H304 N32 O8 Si8 -","8","2","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.1543","0.1289","","","0.2818","0.2911","","","","","","1.189","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125841","18.7157","0.0012","14.5858","0.0009","19.373","0.0011","90","","98.405","0.004","90","","5231.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HV-05-033","sarpong136","","- C33.5 H29 N3 O -","- C33.5 H29 N3 O -","- C268 H232 N24 O8 -","8","2","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.0736","0.0558","","","0.1527","0.1674","","","","","","1.043","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4125842","9.2667","0.0006","10.0686","0.0005","10.9395","0.0007","90","","111.348","0.007","90","","950.65","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N5 -","- C9 H9 N5 -","- C36 H36 N20 -","4","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","0.71073","MoKα","","0.0559","0.0393","","","0.0932","0.1033","","","","","","1.034","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125843","10.1175","0.0002","11.0673","0.0003","16.8859","0.0004","90","","90","","90","","1890.77","0.08","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","1.54184","CuKα","","0.045","0.0389","","","0.098","0.103","","","","","","1.071","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125844","8.012","0.0005","11.491","0.0006","7.7899","0.0005","90","","113.418","0.008","90","","658.11","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C20 H28 N12 O8 -","4","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","0.71073","MoKα","","0.0479","0.0415","","","0.1114","0.1173","","","","","","1.106","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125845","8.8437","0.0002","8.8437","0.0002","3.9254","0.0001","90","","90","","120","","265.878","0.011","296","2","296","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C F K Mg O3 -","- C F K Mg O3 -","- C3 F3 K3 Mg3 O9 -","3","0.25","","Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv","Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","139","3","1285","1295","10.1021/jacs.6b11965","","","0.71073","MoKα","","0.0492","0.0492","","","0.1165","0.1165","","","","","","1.157","","","","has coordinates,has disorder","193197","2020-10-21","18:00:00",""
"4125846","13.2888","0.0017","6.8258","0.0009","18.824","0.002","90","","90","","90","","1707.5","0.4","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C8 Cs9 F5 Mg6 O24 -","- C8 Cs9 F5 Mg6 O24 -","- C16 Cs18 F10 Mg12 O48 -","2","0.5","","Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv","Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","139","3","1285","1295","10.1021/jacs.6b11965","","","0.71073","MoKα","","0.0202","0.0195","","","0.0476","0.048","","","","","","1.075","","","","has coordinates","193197","2020-10-21","18:00:00",""
"4125847","11.7733","0.0006","10.6772","0.0006","30.5233","0.0016","90","","96.563","0.001","90","","3811.8","0.4","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl Ir N2 O S -","- C18 H30 Cl Ir N2 O S -","- C144 H240 Cl8 Ir8 N16 O8 S8 -","8","2","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?","Journal of the American Chemical Society","2017","139","3","1245","1260","10.1021/jacs.6b11666","","","0.71073","MoKα","","0.0302","0.0243","","","0.058","0.0605","","","","","","1.182","","","","has coordinates","193198","2020-10-21","18:00:00",""
"4125848","10.3404","0.0009","15.103","0.0013","11.7278","0.001","90","","99.003","0.001","90","","1809","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cl Ir N2 O S -","- C17 H28 Cl Ir N2 O S -","- C68 H112 Cl4 Ir4 N8 O4 S4 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?","Journal of the American Chemical Society","2017","139","3","1245","1260","10.1021/jacs.6b11666","","","0.71073","MoKα","","0.03","0.0247","","","0.0741","0.0845","","","","","","1.446","","","","has coordinates","193199","2020-10-21","18:00:00",""
"4125849","65.243","0.01","65.243","0.01","10.2551","0.0017","90","","90","","120","","37804","10","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C306 H144 Mg6 O72 S36 -","- C306 H144 Mg6 O72 S36 -","- C918 H432 Mg18 O216 S108 -","3","0.166667","","Park, Sarah S.; Hendon, Christopher H.; Fielding, Alistair J.; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea","The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.","Journal of the American Chemical Society","2017","139","10","3619","3622","10.1021/jacs.6b13176","","","0.71073","MoKα","","0.1062","0.0904","","","0.2428","0.2519","","","","","","1.132","","","","has coordinates,has disorder","194829","2020-10-21","18:00:00",""
"4125854","12.3565","0.0009","15.4538","0.001","17.0147","0.0012","83.811","0.006","75.257","0.006","80.638","0.006","3092.7","0.4","294.63","0.1","294.63","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C108 H144 O32 -","4","2","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","","0.71","MoKα","","0.1275","0.0811","","","0.2339","0.2564","","","","","","1.186","","","","has coordinates,has disorder","194847","2020-10-21","18:00:00",""
"4125855","8.3782","0.0007","22.5803","0.0016","8.7664","0.0007","90","","111.944","0.009","90","","1538.3","0.2","297.72","0.16","297.72","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.1099","0.0598","","","0.1201","0.1523","","","","","","1.026","","","","has coordinates","194847","2020-10-21","18:00:00",""
"4125856","18.3993","0.0006","7.78611","0.00018","20.8816","0.0006","90","","90.719","0.003","90","","2991.24","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C136 H200 N8 O24 -","8","2","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.0855","0.0555","","","0.1147","0.1333","","","","","","1.043","","","","has coordinates","194847","2020-10-21","18:00:00",""
"4125857","13.1333","0.0006","9.4398","0.0004","11.3277","0.0005","90","","101.923","0.002","90","","1374.06","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lau, Vivian M.; Pfalzgraff, William C.; Markland, Thomas E.; Kanan, Matthew W.","Electrostatic Control of Regioselectivity in Au(I)-Catalyzed Hydroarylation.","Journal of the American Chemical Society","2017","139","11","4035","4041","10.1021/jacs.6b11971","","x-ray","0.71073","MoKα","","0.0709","0.0439","","","0.0971","0.1098","","","","","","1.041","","","","has coordinates","194843","2020-10-21","18:00:00",""
"4125858","6.8201","0.0005","10.8988","0.0007","12.5246","0.0008","68.965","0.004","79.16","0.004","81.812","0.004","850.57","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F12 Ni2 P2 -","- C34 H30 F12 Ni2 P2 -","- C34 H30 F12 Ni2 P2 -","1","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.1267","0.0527","","","0.0818","0.1017","","","","","","1","","","","has coordinates","194841","2020-10-21","18:00:00",""
"4125859","8.0635","0.0008","10.4307","0.001","11.0659","0.0011","99.725","0.004","98.579","0.004","107.584","0.003","854.41","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 F8 O6 P2 S2 -","- C32 H28 F8 O6 P2 S2 -","- C32 H28 F8 O6 P2 S2 -","1","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0868","0.0654","","","0.1721","0.1842","","","","","","1.098","","","","has coordinates","194841","2020-10-21","18:00:00",""
"4125860","12.7756","0.0004","13.0805","0.0004","18.7153","0.0005","93.233","0.002","90.756","0.002","94.444","0.002","3112.69","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H44 F6 N8 O7.5 S2 Zn -","- C72 H44 F6 N8 O7.5 S2 Zn -","- C144 H88 F12 N16 O15 S4 Zn2 -","2","1","","He, Yun-Jui; Tu, Tsung-Han; Su, Ming-Kun; Yang, Chia-Wei; Kong, Kien Voon; Chan, Yi-Tsu","Facile Construction of Metallo-supramolecular Poly(3-hexylthiophene)-block-Poly(ethylene oxide) Diblock Copolymers via Complementary Coordination and Their Self-Assembled Nanostructures.","Journal of the American Chemical Society","2017","139","11","4218","4224","10.1021/jacs.7b01010","","","0.71073","MoKα","","0.0855","0.0686","","","0.1816","0.196","","","","","","1.063","","","","has coordinates,has disorder","194842","2020-10-21","18:00:00",""
"4125861","10.9455","0.0009","28.393","0.002","11.0501","0.0009","90","","93.95","0.004","90","","3425.9","0.5","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 B2 F12 Fe N7 -","- C32 H21 B2 F12 Fe N7 -","- C128 H84 B8 F48 Fe4 N28 -","4","1","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.1014","0.0569","","","0.1297","0.1527","","","","","","1.037","","","","has coordinates,has disorder","194844","2020-10-21","18:00:00",""
"4125862","10.1127","0.0009","28.166","0.002","11.2884","0.001","90","","92.54","0.004","90","","3212.2","0.5","120","2","120.14","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 B2 F12 Fe N7 -","- C32 H21 B2 F12 Fe N7 -","- C128 H84 B8 F48 Fe4 N28 -","4","1","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0813","0.0636","","","0.1674","0.1807","","","","","","1.045","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125863","21.1642","0.0012","16.9913","0.001","23.7983","0.0013","90","","112.85","0.0019","90","","7886.4","0.8","100","2","99.96","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 B2 Br4 F8 Fe N6 O -","- C34 H28 B2 Br4 F8 Fe N6 O -","- C272 H224 B16 Br32 F64 Fe8 N48 O8 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0659","0.057","","","0.1422","0.1454","","","","","","1.171","","","","has coordinates,has disorder","194844","2020-10-21","18:00:00",""
"4125864","17.1024","0.001","20.8582","0.0012","23.0504","0.0013","90","","102.493","0.002","90","","8028","0.8","120","2","120.06","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C37 H23 B2 Cl4 F8 Fe N7 -","- C37 H23 B2 Cl4 F8 Fe N7 -","- C296 H184 B16 Cl32 F64 Fe8 N56 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0534","0.038","","","0.0782","0.0842","","","","","","1.022","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125865","12.7241","0.0007","13.8775","0.0008","9.4376","0.0006","90","","105.076","0.006","90","","1609.12","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O S4 V -","- C10 H20 N2 O S4 V -","- C40 H80 N8 O4 S16 V4 -","4","1","","Atzori, Matteo; Tesi, Lorenzo; Benci, Stefano; Lunghi, Alessandro; Righini, Roberto; Taschin, Andrea; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta","Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits.","Journal of the American Chemical Society","2017","139","12","4338","4341","10.1021/jacs.7b01266","","","1.54184","CuKα","","0.0867","0.0742","","","0.1946","0.2191","","","","","","1.048","","","","has coordinates","194845","2020-10-21","18:00:00",""
"4125868","8.4867","0.0006","42.907","0.003","8.6105","0.0006","90","","118.846","0.001","90","","2746.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H41 I N2 O4 -","- C25 H41 I N2 O4 -","- C100 H164 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0532","0.0517","","","0.1218","0.1244","","","","","","1.142","","","","has coordinates","194846","2020-10-21","18:00:00",""
"4125870","13.0049","0.0005","11.7607","0.0005","11.634","0.0005","90","","99.373","0.002","90","","1755.63","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co I2 N3 O2 -","- C14 H16 Co I2 N3 O -","- C56 H64 Co4 I8 N12 O4 -","4","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","","0.71073","MoKα","","0.0172","0.016","","","0.0583","0.0597","","","","","","0.876","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125871","9.4249","0.0003","15.6731","0.0007","10.087","0.0005","90","","116.533","0.002","90","","1333.09","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Co N3 -","- C16 H14 Co N3 -","- C64 H56 Co4 N12 -","4","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.0495","0.0314","","","0.0655","0.0736","","","","","","1.024","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125872","7.1818","0.0004","10.1423","0.0006","14.485","0.0008","90","","91.667","0.002","90","","1054.64","0.1","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H17 Cl2 Co N4 O8 -","- C18 H17 Cl2 Co N4 O8 -","- C36 H34 Cl4 Co2 N8 O16 -","2","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0546","0.056","","","","","","1.039","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125873","19.8615","0.0009","22.9601","0.001","13.8009","0.0006","90","","95.504","0.002","90","","6264.5","0.5","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl4 F12 N8 P2 Ru -","- C56 H60 Cl4 F12 N8 P2 Ru -","- C224 H240 Cl16 F48 N32 P8 Ru4 -","4","0.5","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0432","0.0349","","","0.0855","0.0896","","","","","","1.069","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125874","14.276","0.0006","15.7178","0.0007","14.3256","0.0006","90","","103.244","0.002","90","","3129","0.2","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","z1056","","","- C60 H58 F12 N6 P4 Ru -","- C60 H58 F12 N6 P4 Ru -","- C120 H116 F24 N12 P8 Ru2 -","2","1","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0339","0.0278","","","0.0547","0.0563","","","","","","1.023","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125875","16.85","0.01","9.878","0.008","18.29","0.011","90","","105.79","0.06","90","","2929","4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[C5H12N]2[Cu2(OAc)6]","Bis(piperidinium) hexaacetatodicopper(II)","","- C22 H42 Cu2 N2 O12 -","- C22 H42 Cu2 N2 O12 -","- C88 H168 Cu8 N8 O48 -","4","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0831","0.0483","","","0.1045","0.1226","","","","","","1.036","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4125876","10.5862","0.0004","15.0155","0.0006","15.7337","0.0006","90","","109.653","0.005","90","","2355.29","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu4(?3-OH)2(OAc)6(C5H11N)4]","dihydroxo-hexaacetato-tetrapiperidino-tetracopper(II)","","- C36 H70 Cu4 N6 O14 -","- C36 H70 Cu4 N6 O14 -","- C72 H140 Cu8 N12 O28 -","2","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0472","0.0342","","","0.0724","0.079","","","","","","1.043","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4125879","6.2242","0.0006","6.2242","0.0006","6.2242","0.0006","90","","90","","90","","241.13","0.04","170","6","170","6","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C H5.15 Br0.45 I2.55 N1.85 Pb -","- C Br0.4503 I2.5503 N1.875 Pb -","- C Br0.4503 I2.5503 N1.875 Pb -","1","0.0208333","","Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun","Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals.","Journal of the American Chemical Society","2017","139","9","3320","3323","10.1021/jacs.6b12432","","","0.71073","MoKα","","0.048","0.048","","","0.1215","0.1215","","","","","","1.261","","","","has coordinates,has disorder","194736","2020-10-21","18:00:00",""
"4125880","9.7948","0.0002","12.7635","0.0003","17.197","0.0004","90","","90","","90","","2149.9","0.08","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F7 N O3 -","- C23 H20 F7 N O3 -","- C92 H80 F28 N4 O12 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.0254","0.0251","","","0.0631","0.0634","","","","","","1.046","","","","has coordinates","194737","2020-10-21","18:00:00",""
"4125881","6.2716","0.0002","15.4423","0.0004","19.9876","0.0005","90","","90","","90","","1935.76","0.09","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl F7 N O2 -","- C20 H15 Cl F7 N O2 -","- C80 H60 Cl4 F28 N4 O8 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.023","0.0226","","","0.0593","0.0596","","","","","","1.054","","","","has coordinates","194738","2020-10-21","18:00:00",""
"4125882","12.2131","0.0008","12.737","0.0008","22.2524","0.0014","100.811","0.0007","104.37","0.0006","95.5916","0.0007","3255.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 O6 Pu Si6 -","- C51 H99 K N2 O6 Pu Si6 -","- C102 H198 K2 N4 O12 Pu2 Si12 -","2","1","","Windorff, Cory J.; Chen, Guo P.; Cross, Justin N.; Evans, William J.; Furche, Filipp; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.","Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu(II)[C5H3(SiMe3)2]3}().","Journal of the American Chemical Society","2017","139","11","3970","3973","10.1021/jacs.7b00706","","","0.71073","MoKα","","0.0282","0.0235","","","0.0511","0.0526","","","","","","1.037","","","","has coordinates","194739","2020-10-21","18:00:00",""
"4125883","11.0201","0.0016","11.0201","0.0016","5.8525","0.0012","90","","90","","90","","710.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Pr2 Ru3 -","- Ge5 Pr2 Ru3 -","- Ge20 Pr8 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0281","0.028","","","0.0677","0.0677","","","","","","1.565","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125884","10.9816","0.0016","10.9816","0.0016","5.7773","0.0012","90","","90","","90","","696.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Ru3 Sm2 -","- Ge5 Ru3 Sm2 -","- Ge20 Ru12 Sm8 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0291","","","0.068","0.0681","","","","","","1.466","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125885","10.9272","0.0015","10.9272","0.0015","5.697","0.0011","90","","90","","90","","680.24","0.19","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Dy2 Ge5 Ru3 -","- Dy2 Ge5 Ru3 -","- Dy8 Ge20 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0292","","","0.0685","0.0686","","","","","","1.269","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125886","15.4137","0.0004","9.8707","0.0003","11.2707","0.0003","90","","116.835","0.0012","90","","1530.11","0.08","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 F12 Ni2 P4 -","- C20 H40 F12 Ni2 P4 -","- C40 H80 F24 Ni4 P8 -","2","0.25","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0584","0.0568","","","0.1756","0.1772","","","","","","1.05","","","","has coordinates,has disorder","194741","2020-10-21","18:00:00",""
"4125887","6.886","0.003","14.27","0.006","12.665","0.006","90","","105.557","0.016","90","","1198.9","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 F10 P2 -","- C20 H24 B2 F10 P2 -","- C40 H48 B4 F20 P4 -","2","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0662","0.0438","","","0.1002","0.1127","","","","","","1.027","","","","has coordinates,has disorder","194742","2020-10-21","18:00:00",""
"4125888","10.7635","0.0006","11.6514","0.0006","17.8407","0.0009","92.31","0.002","106.077","0.002","102.044","0.002","2091.09","0.19","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H67 F24 N8 P4 -","- C88 H67 F24 N8 P4 -","- C88 H67 F24 N8 P4 -","1","0.5","","Gong, Xirui; Young, Ryan M.; Hartlieb, Karel J.; Miller, Claire; Wu, Yilei; Xiao, Hai; Li, Peng; Hafezi, Nema; Zhou, Jiawang; Ma, Lin; Cheng, Tao; Goddard, 3rd, William A; Farha, Omar K.; Hupp, Joseph T.; Wasielewski, Michael R.; Stoddart, J. Fraser","Intramolecular Energy and Electron Transfer within a Diazaperopyrenium-Based Cyclophane.","Journal of the American Chemical Society","2017","139","11","4107","4116","10.1021/jacs.6b13223","","","1.54178","CuKα","","0.1318","0.116","","","0.3593","0.3886","","","","","","1.776","","","","has coordinates,has disorder","194743","2020-10-21","18:00:00",""
"4125889","18.5677","0.0002","31.2061","0.0008","26.9907","0.0003","90","","90","","90","","15639.1","0.5","120","","120","","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C144 H162 Au25 S18 -","- C144 H162 Au25 S18 -","- C576 H648 Au100 S72 -","4","0.5","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","0.71073","MoKα","","0.0777","0.0678","","","0.1293","0.1333","","","","","","1.3","","","","has coordinates,has disorder","194744","2020-10-21","18:00:00",""
"4125890","16.988","0.0002","24.4379","0.0003","35.2401","0.0004","69.994","0.001","80.989","0.001","88.766","0.001","13569.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C90 H198 Au25 S18 -","- C90 H198 Au25 S18 -","- C360 H792 Au100 S72 -","4","2","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","1.54184","CuKα","","0.0888","0.0771","","","0.2078","0.2227","","","","","","1.015","","","","has coordinates,has disorder","194745","2020-10-21","18:00:00",""
"4125891","8.265","0.0006","42.3212","0.0019","8.6657","0.0005","90","","117.963","0.008","90","","2677.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 I N2 O4 -","- C24 H39 I N2 O4 -","- C96 H156 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.7107","MoKα","","0.1125","0.0685","","","0.1318","0.144","","","","","","1.025","","","","has coordinates","194746","2020-10-21","18:00:00",""
"4125892","11.4085","0.0005","12.0467","0.0004","12.3818","0.0005","90","","103.436","0.0016","90","","1655.11","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 I N2 O9 -","- C28 H47 I N2 O9 -","- C56 H94 I2 N4 O18 -","2","1","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0174","0.0167","","","0.041","0.0413","","","","","","1.099","","","","has coordinates,has disorder","194747","2020-10-21","18:00:00",""
"4125893","11.4214","0.0014","8.8776","0.001","13.2732","0.0013","90","","95.132","0.01","90","","1340.4","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.0835","0.0646","","","0.1603","0.1836","","","","","","1.07","","","","has coordinates","194748","2020-10-21","18:00:00",""
"4125894","5.7856","0.0008","13.4044","0.001","19.945","0.003","90","","90","","90","","1546.8","0.3","298","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","2","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","","0.71073","MoKα","","0.1219","0.0765","","","0.1753","0.2065","","","","","","1.051","","","","has coordinates","194749","2020-10-21","18:00:00",""
"4125895","5.4473","0.0011","13.907","0.003","10.057","0.002","90","","102.69","0.02","90","","743.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","x-ray","1.54184","CuKα","","0.1111","0.1022","","","0.2795","0.305","","","","","","1.191","","","","has coordinates","194750","2020-10-21","18:00:00",""
"4125896","18.8592","0.0013","16.9002","0.0012","8.2712","0.0006","90","","100.573","0.001","90","","2591.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 O6 -","- C56 H90 O6 -","- C112 H180 O12 -","2","0.5","","Ivanov, Maxim V.; Chebny, Vincent J.; Talipov, Marat R.; Rathore, Rajendra","Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies.","Journal of the American Chemical Society","2017","139","12","4334","4337","10.1021/jacs.7b01226","","","0.71073","MoKα","","0.053","0.0445","","","0.1249","0.1311","","","","","","1.059","","","","has coordinates","194751","2020-10-21","18:00:00",""
"4125903","15.473","0.003","6.5866","0.0013","19.166","0.004","90","","92.601","0.005","90","","1951.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 F3 N O5 S -","- C17 H20 F3 N O5 S -","- C68 H80 F12 N4 O20 S4 -","4","2","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0707","0.0541","","","0.1183","0.1279","","","","","","1.023","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125904","5.2899","0.0005","9.3662","0.0009","29.113","0.003","90","","90","","90","","1442.4","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 F3 N O3 S -","- C13 H16 F3 N O3 S -","- C52 H64 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0543","0.0423","","","0.0934","0.0991","","","","","","1.039","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125905","4.99","0.0001","10.5256","0.0002","29.4272","0.0007","90","","90","","90","","1545.6","0.06","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N O3 S -","- C14 H17 F3 N O3 S -","- C56 H68 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.029","0.0282","","","0.0787","0.0793","","","","","","1.013","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125906","8.2974","0.0001","8.2974","0.0001","62.6514","0.0012","90","","90","","90","","4313.35","0.11","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 O4 P2 -","- C52 H48 O4 P2 -","- C208 H192 O16 P8 -","4","0.5","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0535","0.0419","","","0.1006","0.1086","","","","","","1.034","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125907","8.1168","0.0007","9.4474","0.0009","29.166","0.003","90","","90","","90","","2236.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 O3 P -","- C26 H25 O3 P -","- C104 H100 O12 P4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0556","0.047","","","0.1177","0.1236","","","","","","1.025","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125908","9.6429","0.0002","18.4345","0.0004","20.8434","0.0004","90","","90","","90","","3705.17","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N3 S2 -","- C16 H27 N3 S2 -","- C128 H216 N24 S16 -","8","2","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.028","0.0255","","","0.0606","0.062","","","","","","0.962","","","","has coordinates","197436","2020-10-21","18:00:00",""
"4125910","28.0407","0.0004","14.5457","0.0002","14.2999","0.0002","90","","96.8021","0.0009","90","","5791.47","0.14","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H98 B2 F8 N4 O P4 Ru2 -","- C44 H98 B2 F8 N4 O P4 Ru2 -","- C176 H392 B8 F32 N16 O4 P16 Ru8 -","4","0.5","","Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.","Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","15","5305","5308","10.1021/jacs.7b01323","","","1.54178","CuKα","","0.0618","0.0471","","","0.1091","0.1177","","","","","","1.05","","","","has coordinates,has disorder","197437","2020-10-21","18:00:00",""
"4125911","9.2072","0.0002","13.6297","0.0003","16.4432","0.0003","113.178","0.0013","100.015","0.0015","92.847","0.0015","1852.06","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H53 B F4 N2 O3 P2 Ru -","- C28 H53 B F4 N2 O3 P2 Ru -","- C56 H106 B2 F8 N4 O6 P4 Ru2 -","2","1","","Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.","Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","15","5305","5308","10.1021/jacs.7b01323","","","1.54178","CuKα","","0.0402","0.0334","","","0.081","0.0842","","","","","","1.035","","","","has coordinates","197437","2020-10-21","18:00:00",""
"4125913","16.4663","0.0007","17.045","0.0006","16.9234","0.0007","90","","117.894","0.002","90","","4198","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TCNE-05","","","- C40.5 H10.5 B Cl1.5 F12 N11 -","- C40.5 H10.5 B Cl1.5 F12 N11 -","- C162 H42 B4 Cl6 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","","","0.24","0.1031","","","0.284","0.37","","","","","","1.051","","","","has coordinates","197438","2020-10-21","18:00:00",""
"4125915","14.6485","0.0014","15.5804","0.0015","27.395","0.003","102.605","0.002","97.567","0.002","99.053","0.002","5935.6","1","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H135 Au20.65 Cu0.35 S15 -","- C60 H135 Au20.665 Cu0.335 S15 -","- C120 H270 Au41.33 Cu0.67 S30 -","2","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","0.71073","MoKα","","0.1169","0.0867","","","0.2134","0.2362","","","","","","1.007","","","","has coordinates,has disorder","197426","2020-10-21","18:00:00",""
"4125916","24.4258","0.0011","13.1097","0.0006","8.6242","0.0004","90","","91.627","0.002","90","","2760.5","0.2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n","","- C22 H24 Cu2 N2 O8 -","- C22 H24 Cu2 N2 O8 -","- C88 H96 Cu8 N8 O32 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.028","0.0265","","","0.0669","0.0678","","","","","","1.075","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125917","24.556","0.002","12.9794","0.0012","8.6609","0.0008","90","","91.796","0.002","90","","2759.1","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11.5 H12 Cu N O5.44 -","- C11.4994 H12 Cu N O5.44025 -","- C91.9952 H96 Cu8 N8 O43.522 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0437","0.0371","","","0.1078","0.1114","","","","","","1.118","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125918","23.72","0.009","11.8","0.004","9.239","0.004","90","","90.476","0.004","90","","2585.9","1.7","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n_XH2O","","- C44 H48 Cu4 N4 O16 -","- C44 H48 Cu4 N4 O16 -","- C88 H96 Cu8 N8 O32 -","2","0.25","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0875","0.0482","","","0.0808","0.091","","","","","","0.949","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125919","24.556","0.002","12.9794","0.0012","8.6609","0.0008","90","","91.796","0.002","90","","2759.1","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n","","- C11 H12 Cu N O4 -","- C11 H12 Cu N O4 -","- C88 H96 Cu8 N8 O32 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0347","0.0293","","","0.0792","0.0814","","","","","","1.076","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125920","27.255","0.009","11.819","0.004","9.148","0.003","90","","90","","90","","2946.8","1.7","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24.61 H26 Cu2 N2 O11.23 -","- C24.6147 H26 Cu2 N2 O11.2294 -","- C98.4588 H104 Cu8 N8 O44.9176 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0609","0.0385","","","0.0895","0.0995","","","","","","1.044","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125921","12.9025","0.0011","27.615","0.002","8.5728","0.0007","90","","90","","90","","3054.5","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14.5 H19 Cu N O5 -","- C14.5 H19 Cu N O5 -","- C116 H152 Cu8 N8 O40 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0254","0.0228","","","0.057","0.0583","","","","","","1.05","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125922","14.5065","0.0006","15.758","0.0007","19.4","0.0007","91.379","0.003","98.913","0.003","90.225","0.003","4379.8","0.3","180","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O9 Si2 -","- C42 H62 O9 Si2 -","- C168 H248 O36 Si8 -","4","2","","Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate.","Journal of the American Chemical Society","2017","139","16","5732","5735","10.1021/jacs.7b02561","","","0.71073","MoKα","","0.111","0.0892","","","0.2589","0.2753","","","","","","1.041","","","","has coordinates,has disorder","197422","2020-10-21","18:00:00",""
"4125923","13.8165","0.0011","16.1678","0.0012","17.3578","0.0017","80.09","0.007","81.32","0.007","77.271","0.007","3699.8","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","2","","Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate.","Journal of the American Chemical Society","2017","139","16","5732","5735","10.1021/jacs.7b02561","","","0.71073","MoKα","","0.179","0.0882","","","0.1817","0.2179","","","","","","0.834","","","","has coordinates","197422","2020-10-21","18:00:00",""
"4125924","11.253","0.003","22.067","0.006","16.144","0.004","90","","109.818","0.004","90","","3771.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 O6 P2 S2 -","- C42 H42 O6 P2 S2 -","- C168 H168 O24 P8 S8 -","4","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.1267","0.054","","","0.102","0.1259","","","","","","0.96","","","","has coordinates","197421","2020-10-21","18:00:00",""
"4125925","9.1387","0.001","20.645","0.002","28.401","0.003","90","","91.911","0.001","90","","5355.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 Cl6 O6 P3 S3 -","- C50 H47 Cl6 O6 P3 S3 -","- C200 H188 Cl24 O24 P12 S12 -","4","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.0748","0.0574","","","0.1475","0.1572","","","","","","1.04","","","","has coordinates,has disorder","197421","2020-10-21","18:00:00",""
"4125926","8.3369","0.0008","15.8467","0.0015","16.1176","0.0016","113.598","0.001","100.688","0.001","90.889","0.001","1907.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 O6 P2 S2 -","- C42 H42 O6 P2 S2 -","- C84 H84 O12 P4 S4 -","2","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.0367","0.032","","","0.0826","0.0854","","","","","","1.036","","","","has coordinates,has disorder","197421","2020-10-21","18:00:00",""
"4125927","12.526","0.002","5.7575","0.0009","18.983","0.003","90","","109.135","0.003","90","","1293.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C60 H58 N2 O6 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0591","0.0486","","","0.1096","0.1155","","","","","","1.019","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125928","9.8296","0.0013","13.4413","0.0017","22.608","0.003","90","","94.433","0.003","90","","2978.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.1107","0.0682","","","0.1582","0.1781","","","","","","1.042","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125929","9.3016","0.0012","12.2465","0.0015","16.041","0.002","76.176","0.003","83.628","0.003","83.184","0.003","1755.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 N O4 S -","- C42 H41 N O4 S -","- C84 H82 N2 O8 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0917","0.0642","","","0.1573","0.176","","","","","","1.061","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125930","10.58","0.002","10.675","0.002","15.627","0.004","108.388","0.005","92.418","0.003","90.015","0.004","1673.2","0.6","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C34 H40 B N4 O4 P S -","- C34 H40 B N4 O4 P S -","- C68 H80 B2 N8 O8 P2 S2 -","2","2","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.1176","0.0879","","","0.1906","0.2168","","","","","","1.111","","","","has coordinates","197423","2020-10-21","18:00:00",""
"4125931","10.8569","0.0003","7.6285","0.0002","19.3401","0.0005","90","","101.548","0.001","90","","1569.36","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ST-6-181","","","- C18 H16 Cl F3 O -","- C18 H16 Cl F3 O -","- C72 H64 Cl4 F12 O4 -","4","1","","Thapa, Surendra; Basnet, Prakash; Giri, Ramesh","Copper-Catalyzed Dicarbofunctionalization of Unactivated Olefins by Tandem Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2017","139","16","5700","5703","10.1021/jacs.7b01922","","","0.71073","MoKα","","0.0567","0.0499","","","0.123","0.1276","","","","","","1.063","","","","has coordinates,has disorder","197424","2020-10-21","18:00:00",""
"4125932","22.11","0.004","8.8384","0.0013","12.3459","0.0019","90","","96.987","0.006","90","","2394.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 F2 O4 -","- C27 H17 Cl3 F2 O4 -","- C108 H68 Cl12 F8 O16 -","4","1","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.0638","0.0473","","","0.1145","0.1234","","","","","","1.067","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125933","39.8785","0.0003","39.8785","0.0003","39.8785","0.0003","90","","90","","90","","63418.6","0.8","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C168 H88 O32 Zr6 -","- C168 H60 O32 Zr6 -","- C1344 H480 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1042","0.0744","","","0.2051","0.2237","","","","","","1.054","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125934","39.867","0.002","39.867","0.002","39.867","0.002","90","","90","","90","","63364","6","100","2","100","2","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 Hf6 N12 O32 S6 -","- C144 H60 Hf6 N12 O32 S6 -","- C1152 H480 Hf48 N96 O256 S48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0793","0.0427","","","0.1058","0.1192","","","","","","1.02","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125935","39.8364","0.0002","39.8364","0.0002","39.8364","0.0002","90","","90","","90","","63217.9","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0679","0.0562","","","0.1434","0.1511","","","","","","1.077","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125936","39.7405","0.0002","39.7405","0.0002","39.7405","0.0002","90","","90","","90","","62762.5","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0536","0.0429","","","0.0962","0.1009","","","","","","1.056","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125937","28.151","0.0002","28.1718","0.0003","39.9493","0.0004","90","","90","","90","","31682.4","0.5","99.9","0.4","99.9","0.4","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C156 H96 O32 Zr6 -","- C156 H92 O32 Zr6 -","- C624 H368 O128 Zr24 -","4","0.25","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","1.54184","CuKα","","0.0938","0.0886","","","0.2499","0.2547","","","","","","1.048","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125938","39.7709","0.0002","39.7709","0.0002","39.7709","0.0002","90","","90","","90","","62906.6","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0643","0.0517","","","0.1215","0.1269","","","","","","1.112","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125939","43.847","0.0008","7.6507","0.0001","16.1916","0.0003","90","","97.673","0.002","90","","5383","0.16","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 B N3 O4 S -","- C26 H32 B N3 O4 S -","- C208 H256 B8 N24 O32 S8 -","8","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0904","0.0708","","","0.1931","0.2084","","","","","","1.071","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125940","9.4659","0.0001","8.507","0.0001","16.685","0.0002","90","","104.068","0.001","90","","1303.29","0.03","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 B N3 O2 S -","- C27 H34 B N3 O2 S -","- C54 H68 B2 N6 O4 S2 -","2","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0447","0.0441","","","0.1281","0.1291","","","","","","1.075","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125941","14.0382","0.0004","18.4396","0.0006","22.5599","0.0007","90","","105.851","0.002","90","","5617.8","0.3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B N3 O2 S -","- C24 H30 B N3 O2 S -","- C192 H240 B8 N24 O16 S8 -","8","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54178","CuKα","","0.0774","0.0632","","","0.1669","0.1779","","","","","","1.001","","","","has coordinates,has disorder","197408","2020-10-21","18:00:00",""
"4125961","13.444","0.002","8.2879","0.0009","9.681","0.0018","90","","110.73","0.02","90","","1008.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","He, Chi; Hu, Jialei; Wu, Yubing; Ding, Hanfeng","Total Syntheses of Highly Oxidized ent-Kaurenoids Pharicin A, Pharicinin B, 7-O-Acetylpseurata C, and Pseurata C: A [5+2] Cascade Approach.","Journal of the American Chemical Society","2017","139","17","6098","6101","10.1021/jacs.7b02746","","","0.71073","MoKα","","0.0805","0.0513","","","0.1227","0.1406","","","","","","1.03","","","","has coordinates,has disorder","197410","2020-10-21","18:00:00",""
"4125962","15.833","0.0003","12.9988","0.0003","8.5257","0.0002","90","","90","","90","","1754.67","0.07","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H12 F8 N2 Ni -","- C19 H12 F8 N2 Ni -","- C76 H48 F32 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0407","0.0391","","","0.1074","0.109","","","","","","1.085","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4125963","9.0564","0.0001","12.6333","0.0002","15.3327","0.0002","90","","90.629","0.001","90","","1754.14","0.04","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F7 N2 Ni -","- C19 H13 F7 N2 Ni -","- C76 H52 F28 N8 Ni4 -","4","1","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0393","0.0378","","","0.1089","0.1113","","","","","","1.022","","","","has coordinates","197411","2020-10-21","18:00:00",""
"4125964","9.1223","0.0002","9.8603","0.0002","24.6912","0.0005","94.181","0.002","95.644","0.002","117.241","0.002","1947.51","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F7 N2 Ni O -","- C20 H15 F7 N2 Ni O -","- C80 H60 F28 N8 Ni4 O4 -","4","2","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0361","0.0358","","","0.0944","0.0947","","","","","","1.091","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4125965","17.458","0.003","10.2043","0.0019","34.253","0.006","90","0.01","80.248","0.009","90","0.009","6013.9","1.9","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","nss017","ThCl(BIMA)3","","- C24 H51 Cl N6 Th -","- C24 H51 Cl N6 Th -","- C192 H408 Cl8 N48 Th8 -","8","2","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0476","0.0403","","","0.0961","0.099","","","","","","1.153","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125966","11.8539","0.0005","16.0933","0.0007","18.569","0.0009","90","","99.3271","0.0011","90","","3495.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nss033","Th(CH2SiMe3)(BIMA)3","","- C28 H62 N6 Si Th -","- C28 H62 N6 Si Th -","- C112 H248 N24 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.025","0.0235","","","0.0528","0.0534","","","","","","1.161","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125967","9.491","0.0003","10.5346","0.0004","17.7484","0.0006","84.9754","0.0016","75.7195","0.0014","70.321","0.0014","1619.26","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","nss048","Th(OCH2NMe2)(BIMA)3","","- C27 H59 N7 O Th -","- C27 H59 N7 O Th -","- C54 H118 N14 O2 Th2 -","2","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0159","0.015","","","0.0321","0.0324","","","","","","1.109","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125968","10.868","0.0008","16.4185","0.0013","20.9253","0.0017","90","","103.045","0.003","90","","3637.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nss051","Th(SCH2SiMe3)(BIMA)3","","- C28 H62 N6 S Si Th -","- C28 H62 N6 S Si Th -","- C112 H248 N24 S4 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0182","0.0164","","","0.033","0.0336","","","","","","1.173","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125969","11.3345","0.001","18.1535","0.0017","18.6885","0.0017","90","","101.817","0.004","90","","3763.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","nss053","Th(SSCH2SiMe3)(BIMA)3","","- C28 H62 N6 S2 Si Th -","- C28 H62 N6 S2 Si Th -","- C112 H248 N24 S8 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0174","0.0157","","","0.0351","0.0359","","","","","","1.077","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125970","11.1273","0.0004","16.9733","0.0006","19.4029","0.0007","90","","99.5","0.002","90","","3614.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","nss047","Th(SeCH2SiMe3)(BIMA)3","","- C28 H62 N6 Se Si Th -","- C28 H62 N6 Se Si Th -","- C112 H248 N24 Se4 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0435","0.0306","","","0.0652","0.0698","","","","","","1.095","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125971","13.6129","0.0005","16.3848","0.0006","17.5895","0.0007","105.022","0.0018","90.6966","0.0018","104.733","0.0017","3651.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","nss045","Th(TeCH2SiMe3)(BIMA)3","","- C28 H62 N6 Si Te Th -","- C28 H62 N6 Si Te Th -","- C112 H248 N24 Si4 Te4 Th4 -","4","2","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0341","0.0293","","","0.0669","0.0688","","","","","","1.151","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125972","14.657","0.003","10.662","0.0017","15.613","0.003","90","","108.866","0.008","90","","2308.8","0.8","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 O2 P -","- C31 H23 O2 P -","- C124 H92 O8 P4 -","4","1","","Unoh, Yuto; Hirano, Koji; Miura, Masahiro","Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.","Journal of the American Chemical Society","2017","139","17","6106","6109","10.1021/jacs.7b02977","","","0.71075","MoKα","","0.112","0.0677","","","0.1369","0.1599","","","","","","1.093","","","","has coordinates","197413","2020-10-21","18:00:00",""
"4125973","6.033","0.005","20.61","0.017","16.555","0.014","90","","97.135","0.009","90","","2043","3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 O3 P -","- C27 H19 O3 P -","- C108 H76 O12 P4 -","4","1","","Unoh, Yuto; Hirano, Koji; Miura, Masahiro","Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.","Journal of the American Chemical Society","2017","139","17","6106","6109","10.1021/jacs.7b02977","","","0.71075","MoKα","","0.1161","0.0842","","","0.2136","0.2296","","","","","","1.146","","","","has coordinates","197413","2020-10-21","18:00:00",""
"4125974","10.8165","0.0004","10.8165","0.0004","16.2708","0.0005","90","","90","","120","","1648.59","0.1","173","2","173","2","","","","","","","","3","P 32","P 32","145","","","","- C29 H29 N -","- C29 H29 N -","- C87 H87 N3 -","3","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","1.54184","CuKα","","0.0439","0.0425","","","0.1161","0.1183","","","","","","1.046","","","","has coordinates","197409","2020-10-21","18:00:00",""
"4125975","8.5881","0.0011","23.514","0.003","16.0485","0.0019","90","","104.483","0.005","90","","3137.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Mo N5 -","- C33 H48 Mo N5 -","- C132 H192 Mo4 N20 -","4","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","1.54178","CuKα","","0.0378","0.036","","","0.1017","0.1028","","","","","","1.088","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125976","16.659","","16.659","","32.217","","90","","90","","120","","7743.08","","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C39 H59 Mo N5 -","- C39 H59 Mo N5 -","- C234 H354 Mo6 N30 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0748","0.0669","","","0.1679","0.1736","","","","","","1.155","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125977","16.2897","0.0009","16.2897","0.0009","32.2513","0.0019","90","","90","","120","","7411.5","0.7","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C38 H59 F3 Mo N5 O4 S -","- C38 H59 F3 Mo N5 O4 S -","- C228 H354 F18 Mo6 N30 O24 S6 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0318","0.0275","","","0.0649","0.0669","","","","","","1.089","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125978","21.7387","0.0011","16.3039","0.0008","9.2844","0.0005","90","","95.558","0.002","90","","3275.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Mo N3 -","- C39 H49 Mo N3 -","- C156 H196 Mo4 N12 -","4","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0524","0.0356","","","0.0832","0.089","","","","","","1.09","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125979","8.7438","0.0007","13.7953","0.0011","15.4416","0.0013","106.183","0.002","104.153","0.002","104.603","0.002","1628.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H47 Mo N4 -","- C35 H47 Mo N4 -","- C70 H94 Mo2 N8 -","2","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","1.54178","CuKα","","0.0349","0.0344","","","0.0872","0.0876","","","","","","1.069","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125981","5.677","0.0003","12.775","0.0005","27.3695","0.0016","90","","94.076","0.005","90","","1979.92","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br Cl3 O2 -","- C19 H18 Br Cl3 O2 -","- C76 H72 Br4 Cl12 O8 -","4","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.1136","0.0608","","","0.1529","0.1905","","","","","","1.042","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4125982","6.7844","0.0004","7.0774","0.0006","17.2752","0.001","90","","100.264","0.005","90","","816.21","0.1","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br3 O -","- C16 H13 Br3 O -","- C32 H26 Br6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.0716","0.0584","","","0.1273","0.1421","","","","","","1.123","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4125983","13.7749","0.0014","21.091","0.002","7.3456","0.0007","90","","90","","90","","2134.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","1.54178","CuKα","","0.0789","0.0521","","","0.1197","0.1359","","","","","","1.043","","","","has coordinates,has disorder","197441","2020-10-21","18:00:00",""
"4125984","12.492","0.0006","8.763","0.0004","15.2416","0.0006","90","","103.801","0.002","90","","1620.29","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","0.71073","MoKα","","0.0393","0.0264","","","0.0498","0.0537","","","","","","1.048","","","","has coordinates","197441","2020-10-21","18:00:00",""
"4125985","9.9285","0.0005","14.935","0.0006","10.6506","0.0005","90","","90.57","0.002","90","","1579.22","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N2 O4 Rh2 -","- C36 H44 N2 O4 Rh2 -","- C72 H88 N4 O8 Rh4 -","2","0.5","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","0.71073","MoKα","","0.0273","0.0236","","","0.0567","0.0599","","","","","","1.141","","","","has coordinates","197441","2020-10-21","18:00:00",""
"4125986","23.916","0.005","10.099","0.002","16.81","0.004","90","","131.277","0.002","90","","3051.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl2 Fe N12 O8 -","- C24 H36 Cl2 Fe N12 O8 -","- C96 H144 Cl8 Fe4 N48 O32 -","4","0.5","","Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael","A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.","Journal of the American Chemical Society","2017","139","18","6437","6447","10.1021/jacs.7b02098","","","0.71073","MoKα","","0.0552","0.0402","","","0.1013","0.1105","","","","","","1.053","","","","has coordinates","197440","2020-10-21","18:00:00",""
"4125998","72.2609","0.0018","72.2609","0.0018","72.2609","0.0018","90","","90","","90","","377320","16","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-414","","","- C29.08 H24.45 N14.3 O4.6 Zn3 -","- C29.075 H24.27 N14.3 O4.6 Zn3 -","- C5582.4 H4659.84 N2745.6 O883.2 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.0932","0.0787","","","0.228","0.2491","","","","","","1.157","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4125999","72.205","0.002","72.205","0.002","72.205","0.002","90","","90","","90","","376445","18","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-412","","","- C31.6 H22.95 N13.85 O3.7 Zn3 -","- C31.6 H22.95 N13.85 O3.7 Zn3 -","- C6067.2 H4406.4 N2659.2 O710.4 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8265","synchrotron","","0.05","0.0434","","","0.1444","0.1503","","","","","","1.081","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126000","31.731","0.006","31.731","0.006","28.412","0.006","90","","90","","120","","24774","8","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-615","","","- C40 H23 Cl4 N20 O8 Zn4 -","- C40 H23 Cl4 N20 O8 Zn4 -","- C480 H276 Cl48 N240 O96 Zn48 -","12","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8999","synchrotron","","0.2577","0.1933","","","0.4933","0.55","","","","","","1.084","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126001","29.157","0.003","29.157","0.003","69.955","0.009","90","","90","","90","","59471","12","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","ZIF-516","","","- C195 H77 Br13 N52 Zn13 -","- C195 H74 Br13 N52 Zn13 -","- C1560 H592 Br104 N416 Zn104 -","8","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.1191","0.0972","","","0.2523","0.273","","","","","","1.047","","","","has coordinates","197442","2020-10-21","18:00:00",""
"4126002","72.3673","0.0014","72.3673","0.0014","72.3673","0.0014","90","","90","","90","","378989","13","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-413","","","- C33.5 H26.49 N13.81 O3.63 Zn3 -","- C33.5 H26.4875 N13.8125 O3.625 Zn3 -","- C6432 H5085.6 N2652 O696 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.117","0.1032","","","0.3171","0.3434","","","","","","1.05","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126003","42.586","0.003","42.586","0.003","19.8692","0.0013","90","","90","","120","","31206","4","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","ZIF-725","","","- C22 H13.5 Br2.5 N9 O2 Zn2 -","- C22 H12.25 Br2.5 N9 O2 Zn2 -","- C528 H294 Br60 N216 O48 Zn48 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.0332","synchrotron","","0.1996","0.1621","","","0.4143","0.4377","","","","","","1.152","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126004","27.0807","0.0016","27.0807","0.0016","16.7619","0.0016","90","","90","","120","","10645.7","1.4","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","ZIF-486","","","- C7.5 H7.4 N4.2 O0.4 Zn -","- C7.5 H7.4 N4.2 O0.4 Zn -","- C180 H177.6 N100.8 O9.6 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","","","0.1382","0.1153","","","0.3275","0.3525","","","","","","1.02","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126005","17.3115","0.001","6.4766","0.0004","20.9257","0.0012","90","","107.061","0.002","90","","2242.9","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BAD2-BA","","","- C26.5 H22 B Cl F2 N2 O2 -","- C26.5 H22 B Cl F2 N2 O2 -","- C106 H88 B4 Cl4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0855","0.0976","","","","","","1.035","","","","has coordinates,has disorder","197444","2020-10-21","18:00:00",""
"4126006","7.2381","0.0006","9.7454","0.0009","16.9374","0.0015","75.307","0.003","83.691","0.002","70.111","0.004","1086.37","0.17","100","","99.99","","","","","","","","","5","P -1","-P 1","2","BAD1","","","- C28 H25 B F2 N2 -","- C28 H25 B F2 N2 -","- C56 H50 B2 F4 N4 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0831","0.044","","","0.1015","0.1129","","","","","","1.016","","","","has coordinates","197444","2020-10-21","18:00:00",""
"4126007","6.3949","0.0003","9.4233","0.0005","20.105","0.001","80.269","0.002","83.793","0.002","70.715","0.002","1125.33","0.1","100","","99.99","","","","","","","","","6","P -1","-P 1","2","BAD2-TE","","","- C27 H25 B F2 N2 O5 -","- C27 H25 B F2 N2 O5 -","- C54 H50 B2 F4 N4 O10 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0762","0.0481","","","0.1052","0.1164","","","","","","1.036","","","","has coordinates,has disorder","197444","2020-10-21","18:00:00",""
"4126009","15.3166","0.0009","8.8618","0.0004","14.4531","0.0007","90","","98.44","0.002","90","","1940.51","0.17","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H20 Fe K N8 O2 -","- C12 H20 Fe K N8 O2 -","- C48 H80 Fe4 K4 N32 O8 -","4","1","","Xu, Wei-Jian; Li, Peng-Fei; Tang, Yuan-Yuan; Zhang, Wei-Xiong; Xiong, Ren-Gen; Chen, Xiao-Ming","A Molecular Perovskite with Switchable Coordination Bonds for High-Temperature Multiaxial Ferroelectrics.","Journal of the American Chemical Society","2017","139","18","6369","6375","10.1021/jacs.7b01334","","","0.71073","MoKα","","0.0305","0.0284","","","0.0663","0.0685","","","","","","1.045","","","","has coordinates","197443","2020-10-21","18:00:00",""
"4126011","12.2209","0.0003","12.6206","0.0003","14.2456","0.0004","75.918","0.001","77.453","0.001","75.38","0.001","2033.52","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H62 N2 Pb -","- C43 H62 N2 Pb -","- C86 H124 N4 Pb2 -","2","1","","Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.","Journal of the American Chemical Society","2017","139","19","6542","6545","10.1021/jacs.7b01856","","","0.71073","MoKα","","0.0247","0.0213","","","0.0468","0.0476","","","","","","1.105","","","","has coordinates,has disorder","197418","2020-10-21","18:00:00",""
"4126012","6.1827","0.0004","16.2477","0.0009","18.7515","0.0011","90","","90","","90","","1883.68","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B O5 -","- C20 H27 B O5 -","- C80 H108 B4 O20 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0276","0.0273","","","0.0686","0.0689","","","","","","1.052","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126013","6.126","0.0004","12.1135","0.0007","24.9789","0.0015","90","","90","","90","","1853.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B F3 O3 -","- C19 H24 B F3 O3 -","- C76 H96 B4 F12 O12 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0292","0.0285","","","0.0718","0.0724","","","","","","1.065","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126014","20.4847","0.0008","20.4847","0.0008","6.8358","0.0003","90","","90","","120","","2484.16","0.18","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C114 H144 O24 -","6","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0256","0.0254","","","0.0648","0.065","","","","","","1.087","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126022","10.5608","0.0008","6.4181","0.0005","19.8406","0.0014","90","","90.419","0.002","90","","1344.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Maier, Josef M.; Li, Ping; Vik, Erik C.; Yehl, Christopher J.; Strickland, Sharon M. S.; Shimizu, Ken D.","Measurement of Solvent OH-π Interactions Using a Molecular Balance.","Journal of the American Chemical Society","2017","139","19","6550","6553","10.1021/jacs.7b02349","","","0.71073","MoKα","","0.0567","0.0455","","","0.1158","0.1217","","","","","","1.064","","","","has coordinates","197414","2020-10-21","18:00:00",""
"4126023","10.9086","0.0002","15.7319","0.0003","17.5116","0.0004","83.6115","0.0016","79.6903","0.0015","70.5894","0.0015","2784.3","0.1","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","","","- C55.5 H49.5 N7.5 O13.5 -","- C55.5 H49.5 N7.5 O13.5 -","- C111 H99 N15 O27 -","2","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0789","0.0593","","","0.1475","0.1601","","","","","","0.971","","","","has coordinates,has disorder","197415","2020-10-21","18:00:00",""
"4126024","18.6629","0.0008","64.266","0.003","85.271","0.004","90","","90","","90","","102273","8","180","2","180","2","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C190.5 H184 F40.5 Fe4 N40 O31.5 P5.5 S10.5 -","- C186.8 H184 F29.4 Fe4 N40 O20.4 P5.5 S6.8 -","- C2988.8 H2944 F470.4 Fe64 N640 O326.4 P88 S108.8 -","16","","","Zhang, Dawei; Ronson, Tanya K.; Mosquera, Jesús; Martinez, Alexandre; Guy, Laure; Nitschke, Jonathan R.","Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe(II)4L4 Tetrahedron.","Journal of the American Chemical Society","2017","139","19","6574","6577","10.1021/jacs.7b02950","","","1.54178","CuKα","","0.1193","0.1078","","","0.2698","0.278","","","","","","1.085","","","","has coordinates,has disorder","197416","2020-10-21","18:00:00",""
"4126027","11.4489","0.0005","20.7494","0.0009","30.7865","0.0014","90","","91.16","0.001","90","","7312.1","0.6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.21 Cl0.5 N1.4 O33.9 Zr6 -","- C15.218 Cl0.5 N1.406 O33.906 Zr6 -","- C121.744 Cl4 N11.248 O271.248 Zr48 -","8","1","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Feng, Xuanyu; Urban, Ania; Song, Yang; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr12(μ3-O)8(μ3-OH)8(μ2-OH)6 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Nitroarenes, Nitriles, and Isocyanides.","Journal of the American Chemical Society","2017","139","20","7004","7011","10.1021/jacs.7b02394","","","0.41328","","","0.0862","0.0527","","","0.1295","0.1428","","","","","","1.046","","","","has coordinates,has disorder","197427","2020-10-21","18:00:00",""
"4126028","33.087","0.003","33.087","0.003","21.564","0.002","90","","90","","90","","23607","4","77","","77","","","","","","","","","4","I 41/a","-I 4ad","88","","HfBTE-3D-MOF-I","","- C66 H0 Hf3 O18 -","- C66 Hf3 O18 -","- C528 Hf24 O144 -","8","","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1171","0.0622","","","0.1509","0.1786","","","","","","1.081","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126029","44.662","0.009","21.571","0.004","19.789","0.004","90","","113.282","0.003","90","","17512","6","77","","77","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","ZrBTE-3D-MOF-D","","- C66 O18 Zr3 -","- C66 O18 Zr3 -","- C264 O72 Zr12 -","4","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1815","0.1255","","","0.3119","0.3328","","","","","","0.993","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126033","19.5368","0.0007","14.2533","0.0005","23.4566","0.0009","90","","90","","90","","6531.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ma_03_101","ma_03_101","","- C34 H43 Cl2 Cu N2 S -","- C34 H43 Cl2 Cu N2 S -","- C272 H344 Cl16 Cu8 N16 S8 -","8","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0474","0.0363","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates","197430","2020-10-21","18:00:00",""
"4126034","12.249","0.003","17.855","0.004","22.121","0.005","90","","90","","90","","4838","1.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Li N2 O3 S2 -","- C46 H67 Li N2 O3 S2 -","- C184 H268 Li4 N8 O12 S8 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.1605","0.06","","","0.1234","0.163","","","","","","1.003","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126035","12.332","0.002","17.934","0.003","16.802","0.003","90","","101.457","0.006","90","","3641.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Li N2 O2 S3 -","- C35 H50 Li N2 O2 S3 -","- C140 H200 Li4 N8 O8 S12 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.081","0.0566","","","0.1315","0.144","","","","","","1.031","","","","has coordinates","197431","2020-10-21","18:00:00",""
"4126036","14.9377","0.0006","14.9604","0.0006","37.2578","0.0015","90","","92.366","0.001","90","","8319.1","0.6","297","2","297","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H112 Cl Ge Li N4 O6 S6 -","- C76 H112 Cl Ge Li N4 O6 S6 -","- C304 H448 Cl4 Ge4 Li4 N16 O24 S24 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.0833","0.0534","","","0.1415","0.1607","","","","","","1.01","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126037","8.499","0.003","9.1139","0.0017","10.798","0.003","91.404","0.018","104.88","0.02","116.48","0.02","714.1","0.4","293.8","0.3","293.8","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.1005","0.059","","","0.1238","0.1542","","","","","","1.031","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126038","7.483","0.0003","13.0673","0.0007","17.5715","0.0008","90","","91.061","0.004","90","","1717.89","0.14","294.09","0.1","294.09","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O4 -","- C18 H24 Cl N O4 -","- C72 H96 Cl4 N4 O16 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.1072","0.0593","","","0.1189","0.1508","","","","","","1.032","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126039","10.853","0.0009","7.9767","0.0005","16.4717","0.0016","90","","107.414","0.01","90","","1360.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","","0.71073","MoKα","","0.1407","0.0682","","","0.1487","0.1979","","","","","","1.052","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126040","11.1369","0.0019","12.47","0.002","17.657","0.003","77.331","0.002","75.898","0.002","66.044","0.002","2153.2","0.6","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H28 Cl F6 O6 P2 Pt S2 Sb -","- C38 H28 Cl F6 O6 P2 Pt S2 Sb -","- C76 H56 Cl2 F12 O12 P4 Pt2 S4 Sb2 -","2","1","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0336","0.0275","","","0.0652","0.0683","","","","","","1.037","","","","has coordinates,has disorder","197428","2020-10-21","18:00:00",""
"4126041","16.2209","0.0004","16.867","0.0005","36.8707","0.0009","79.205","0.002","81.682","0.001","88.126","0.002","9804.8","0.5","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C351.35 H440.52 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","1","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.1195","0.0748","","","0.1902","0.226","","","","","","1.01","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126042","19.623","0.008","19.612","0.008","36.77","0.015","90","","90","","90","","14151","10","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H103 N19 O23 S4 -","- C59.7333 H109.867 N20.2667 O24.5333 S4.26667 -","- C358.4 H659.2 N121.6 O147.2 S25.6 -","6","0.75","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","0.41425","synchrotron","","0.1346","0.1081","","","0.2749","0.303","","","","","","1.051","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126043","13.8067","0.0003","20.7486","0.0005","35.9788","0.0009","90","","90","","90","","10306.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C376 H486 Cl12 N62 O82 S12 -","4","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.0525","0.0481","","","0.1341","0.1388","","","","","","1.002","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126044","16.29","0.003","7.9432","0.0013","18.521","0.003","90","","105.826","0.004","90","","2305.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 Si -","- C30 H26 N2 Si -","- C120 H104 N8 Si4 -","4","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.1026","0.0541","","","0.1344","0.1609","","","","","","0.874","","","","has coordinates","197445","2020-10-21","18:00:00",""
"4126045","10.6463","0.0012","19.807","0.002","16.5261","0.0018","90","","96.816","0.002","90","","3460.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F N Si -","- C21 H20 F N Si -","- C168 H160 F8 N8 Si8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.1689","0.1116","","","0.2208","0.2502","","","","","","1.169","","","","has coordinates","197445","2020-10-21","18:00:00",""
"4126046","11.945","0.002","26.364","0.005","15.094","0.003","90","","98.517","0.003","90","","4701","1.5","173","2","173.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C70 H68 N24 O4 -","- C70 H68 N24 O4 -","- C140 H136 N48 O8 -","2","0.25","","Lin, Yunxiao; Jiang, Xuanfeng; Kim, Samuel T.; Alahakoon, Sampath B.; Hou, Xisen; Zhang, Zhiyun; Thompson, Christina M.; Smaldone, Ronald A.; Ke, Chenfeng","An Elastic Hydrogen-Bonded Cross-Linked Organic Framework for Effective Iodine Capture in Water.","Journal of the American Chemical Society","2017","139","21","7172","7175","10.1021/jacs.7b03204","","","0.71073","MoKα","","0.1611","0.1103","","","0.3367","0.3706","","","","","","1.248","","","","has coordinates,has disorder","197446","2020-10-21","18:00:00",""
"4126047","9.1514","0.0003","10.2736","0.0003","18.5352","0.0006","92.4907","0.0018","90.7171","0.0016","114.438","0.0014","1584.13","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Mo N2 O P2 -","- C36 H38 Mo N2 O P2 -","- C72 H76 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0515","0.0353","","","0.0666","0.0699","","","","","","0.966","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126048","9.688","0.002","22.724","0.006","14.402","0.004","90","","96.751","0.008","90","","3148.6","1.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl Mo N2 O P2 -","- C32 H45 Cl Mo N2 O P2 -","- C128 H180 Cl4 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.1345","0.0745","","","0.1166","0.1318","","","","","","1.122","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126049","12.0391","0.0007","14.0027","0.0008","21.2754","0.0012","90","","102.365","0.003","90","","3503.4","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl5 Mo N2 O P2 -","- C32 H45 Cl5 Mo N2 O P2 -","- C128 H180 Cl20 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0836","0.0643","","","0.1723","0.1854","","","","","","1.036","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126050","9.7947","0.0014","10.5732","0.0016","14.69","0.002","96.291","0.006","109.186","0.006","96.237","0.007","1411.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Mo N2 O P2 -","- C30 H42 Mo N2 O P2 -","- C60 H84 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0457","0.037","","","0.0881","0.0929","","","","","","1.041","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126051","11.2757","0.0006","16.421","0.0009","17.3077","0.001","90","","99.103","0.003","90","","3164.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H92 Mo2 N4 O2 P4 -","- C64 H92 Mo2 N4 O2 P4 -","- C128 H184 Mo4 N8 O4 P8 -","2","0.5","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0617","0.0408","","","0.097","0.1073","","","","","","1.025","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126052","41.684","0.003","13.0435","0.001","27.362","0.003","90","","116.837","0.008","90","","13275","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H57 B F24.03 Mo N2 O P2 -","- C64 H57 B F24.0209 Mo N2 O P2 -","- C512 H456 B8 F192.167 Mo8 N16 O8 P16 -","8","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.1263","0.0559","","","0.1087","0.1321","","","","","","1.008","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126053","13.5265","0.0008","27.773","0.0016","16.8162","0.001","90","","106.004","0.003","90","","6072.5","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H61 B F23.97 Mo N2 O P2 -","- C58 H61 B F24.173 Mo N2 O P2 -","- C232 H244 B4 F96.692 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0746","0.0558","","","0.1366","0.1502","","","","","","1.063","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126054","13.2113","0.0005","13.651","0.0005","17.8513","0.0006","92.944","0.002","104.231","0.002","91.563","0.002","3113.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H53 B F24 Mo N2 O P2 -","- C62 H53 B F24 Mo N2 O P2 -","- C124 H106 B2 F48 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0731","0.0498","","","0.1133","0.1253","","","","","","1.023","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126055","11.2286","0.001","17.0101","0.0015","18.6624","0.0017","80.605","0.006","73.299","0.005","74.608","0.006","3277.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H49 B F24.28 Mo N2 O P2 -","- C68 H49 B F24.28 Mo N2 O P2 -","- C136 H98 B2 F48.56 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.2124","0.089","","","0.2054","0.252","","","","","","1.029","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126056","11.3495","0.0008","16.8735","0.0013","18.6417","0.0014","89.961","0.004","72.33","0.003","74.987","0.004","3273.7","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H51 B F24 Mo N2 O P2 -","- C68 H51 B F24 Mo N2 O P2 -","- C136 H102 B2 F48 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0978","0.0629","","","0.1536","0.1709","","","","","","1.034","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126057","12.7123","0.0006","17.4489","0.0008","21.6927","0.0011","68.854","0.003","82.049","0.003","73.29","0.003","4295","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C93 H69.5 B F28.5 Mo N2 O P2 -","- C93 H69.5 B F28.5 Mo N2 O P2 -","- C186 H139 B2 F57 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0978","0.0618","","","0.1582","0.1807","","","","","","1.037","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126058","10.144","0.0007","23.5478","0.0017","27.059","0.0019","90","","96.564","0.004","90","","6421.2","0.8","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 B F24 Mo N2 O P2 -","- C64 H59 B F24 Mo N2 O P2 -","- C256 H236 B4 F96 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0932","0.06","","","0.1398","0.1555","","","","","","1.022","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126059","9.3013","0.0008","17.9188","0.0014","20.267","0.0017","107.945","0.003","96.254","0.004","98.054","0.003","3140.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H57 B F24.5 Mo N2 O P2 -","- C65 H57 B F24.5 Mo N2 O P2 -","- C130 H114 B2 F49 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0874","0.0483","","","0.1139","0.1274","","","","","","1.042","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126060","12.3134","0.0017","15.661","0.002","20.705","0.003","90","","107.129","0.003","90","","3815.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 B Fe N6 P2 Rh -","- C43 H38 B Fe N6 P2 Rh -","- C172 H152 B4 Fe4 N24 P8 Rh4 -","4","1","","Ye, Fei; Chen, Junting; Ritter, Tobias","Rh-Catalyzed Anti-Markovnikov Hydrocyanation of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","21","7184","7187","10.1021/jacs.7b03749","","","0.71073","Mo-Kα","","0.0473","0.0321","","","0.0694","0.0757","","","","","","1.042","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4126062","6.4628","0.0003","12.406","0.0005","13.1362","0.0006","70.445","0.001","86.393","0.001","76.913","0.001","966.61","0.07","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","2","","Kawamata, Yu; Yan, Ming; Liu, Zhiqing; Bao, Deng-Hui; Chen, Jinshan; Starr, Jeremy T.; Baran, Phil S.","Scalable, Electrochemical Oxidation of Unactivated C-H Bonds.","Journal of the American Chemical Society","2017","139","22","7448","7451","10.1021/jacs.7b03539","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0292","","","0.0823","0.0824","","","","","","1.052","","","","has coordinates,has disorder","200664","2020-10-21","18:00:00",""
"4126063","21.388","0.004","21.388","","12.031","0.004","90","","90","","90","","5504","2","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C26 H20 N4 O6 Zn -","- C26 H20 N4 O6 Zn -","- C208 H160 N32 O48 Zn8 -","8","1","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04794","","4.46","","","","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126064","25.8236","0.001","25.8236","0.001","12.2441","0.0013","90","","90","","90","","8165.1","1","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C122 H126 N22 O32 Zn4 -","- C104 H80 N16 O24 Zn4 -","- C208 H160 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1845","0.0795","","","0.2131","0.2482","","","","","","0.854","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126065","19.3658","0.0016","19.5266","0.0018","27.211","0.002","85.809","0.004","83.726","0.003","64.922","0.003","9259.9","1.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C290 H282 N30 O62 Zn8 -","- C272 H232 N24 O56 Zn8 -","- C272 H232 N24 O56 Zn8 -","1","0.5","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.0986","0.0758","","","0.2307","0.2502","","","","","","1.099","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126066","26.2705","0.0007","26.2705","0.0007","12.6469","0.001","90","","90","","90","","8728.1","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C139 H123 N21 O29 Zn4 -","- C124 H88 N16 O24 Zn4 -","- C248 H176 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.139","0.0771","","","0.2227","0.2532","","","","","","0.883","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126067","25.847","0.0009","25.847","0.0009","12.2338","0.0011","90","","90","","90","","8173","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C113 H99 N15 O32 Zn4 -","- C104 H76 N12 O28 Zn4 -","- C208 H152 N24 O56 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1617","0.0825","","","0.2375","0.2697","","","","","","0.796","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126072","9.7032","0.0006","11.2509","0.0008","14.4342","0.001","99.726","0.005","91.809","0.005","93.757","0.005","1548.33","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","compound 3","1,4.bis(9H-carbazol-9-yl)phenyl)ethynyl)benzene","","- C46 H28 N2 -","- C46 H28 N2 -","- C92 H56 N4 -","2","1","","Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Sánchez-González, Elı; Álvarez, J Raziel; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Roa, Arian E.; Hernández-Ortega, Simón; Ibarra, Ilich A.; Rodríguez-Molina, Braulio","Transient Porosity in Densely Packed Crystalline Carbazole-(p-Diethynylphenylene)-Carbazole Rotors: CO2 and Acetone Sorption Properties.","Journal of the American Chemical Society","2017","139","22","7549","7557","10.1021/jacs.7b02015","","","1.0333","synchrotron","","0.1392","0.1037","","","0.2382","0.2568","","","","","","1.035","","","","has coordinates,has disorder","200665","2020-10-21","18:00:00",""
"4126092","39.828","0.014","39.828","0.014","39.828","0.014","90","","90","","90","","63178","4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H52 F24 Hf6 O32 -","- C144 H48 F24 Hf6 O32 -","- C1152 H384 F192 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.1425","0.0739","","","0.1957","0.2661","","","","","","0.985","","","","has coordinates","197240","2020-10-21","18:00:00",""
"4126093","9.5707","0.0003","11.0072","0.0004","13.723","0.0005","74.409","0.003","74.79","0.003","75.265","0.003","1317.16","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 F2 N2 O6 -","- C30 H26 F2 N2 O6 -","- C60 H52 F4 N4 O12 -","2","1","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71075","MoKα","","0.075","0.0484","","","0.1137","0.1258","","","","","","1.018","","","","has coordinates","197241","2020-10-21","18:00:00",""
"4126094","17.248","0.012","4.784","0.003","12.021","0.008","90","","93.881","0.019","90","","989.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F4 O4 -","- C26 H14 F4 O4 -","- C52 H28 F8 O8 -","2","0.5","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1925","0.1301","","","0.3547","0.4055","","","","","","1.411","","","","has coordinates","197242","2020-10-21","18:00:00",""
"4126095","39.83167","0.00014","39.83167","0.00014","39.83167","0.00014","90","","90","","90","","63195.4","0.4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.076","0.0695","","","0.1871","0.1907","","","","","","1.145","","","","has coordinates,has disorder","197243","2020-10-21","18:00:00",""
"4126096","27.696","0.005","27.696","","72.829","0.013","90","","90","","120","","48380","12","100","2","100.45","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C51 H34 Fe3 N6 O13 -","- C51 H34 Fe3 N6 O13 -","- C918 H612 Fe54 N108 O234 -","18","","","Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai","Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","17","6183","6189","10.1021/jacs.7b01559","","x-ray","0.71073","MoKα","","0.121","0.0991","","","0.2242","0.2382","","","","","","1.125","","","","has coordinates,has disorder","197244","2020-10-21","18:00:00",""
"4126097","6.3437","0.0004","16.5128","0.0014","9.2201","0.0007","90","","109.431","0.004","90","","910.82","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N O -","- C23 H18 Br N O -","- C46 H36 Br2 N2 O2 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0212","0.0205","","","0.0535","0.0538","","","","","","1.044","","","","has coordinates","197245","2020-10-21","18:00:00",""
"4126098","19.8748","0.0019","9.4591","0.0009","20.538","0.002","90","","108.334","0.003","90","","3665.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br2 N -","- C21 H19 Br2 N -","- C168 H152 Br16 N8 -","8","4","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0455","0.0349","","","0.0702","0.0752","","","","","","1.032","","","","has coordinates,has disorder","197246","2020-10-21","18:00:00",""
"4126099","9.5214","0.0014","10.1954","0.0018","12.8363","0.0017","100.977","0.004","110.01","0.014","90.035","0.006","1146.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 B N O2 -","- C27 H34 B N O2 -","- C54 H68 B2 N2 O4 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0405","0.0374","","","0.098","0.1008","","","","","","1.027","","","","has coordinates","197247","2020-10-21","18:00:00",""
"4126100","7.85","0.002","6.0119","0.0016","7.995","0.002","90","","112.37","0.004","90","","348.92","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0395","0.038","","","0.1058","0.1079","","","","","","1.062","","","","has coordinates","197249","2020-10-21","18:00:00",""
"4126101","7.465","0.003","14.687","0.006","6.709","0.003","90","","103.79","0.007","90","","714.4","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H7 B F N -","- C8 H7 B F N -","- C32 H28 B4 F4 N4 -","4","2","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0468","0.0403","","","0.1094","0.1176","","","","","","1.066","","","","has coordinates","197250","2020-10-21","18:00:00",""
"4126102","13.09343","0.00011","10.40312","0.00009","19.9446","0.00016","90","","93.8233","0.0008","90","","2710.66","0.04","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F8 N2 Ni O3 -","- C28 H30 F8 N2 Ni O3 -","- C112 H120 F32 N8 Ni4 O12 -","4","1","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0384","0.0363","","","0.0963","0.0987","","","","","","1.033","","","","has coordinates,has disorder","197251","2020-10-21","18:00:00",""
"4126103","15.88344","0.00009","12.97082","0.00011","8.60488","0.00005","90","","90","","90","","1772.79","0.02","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H11 F9 N2 Ni -","- C19 H11 F9 N2 Ni -","- C76 H44 F36 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0284","0.0283","","","0.0789","0.079","","","","","","1.079","","","","has coordinates,has disorder","197252","2020-10-21","18:00:00",""
"4126104","10.161","0.002","11.489","0.002","30.374","0.006","90","","90","","90","","3545.9","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O7 Si2 -","- C31 H50 O7 Si2 -","- C124 H200 O28 Si8 -","4","1","","Chen, Dezhi; Evans, P. Andrew","A Concise, Efficient and Scalable Total Synthesis of Thapsigargin and Nortrilobolide from (R)-(-)-Carvone.","Journal of the American Chemical Society","2017","139","17","6046","6049","10.1021/jacs.7b01734","","","0.71073","MoKα","","0.054","0.041","","","0.098","0.1056","","","","","","1.03","","","","has coordinates,has disorder","197253","2020-10-21","18:00:00",""
"4126105","22.2432","0.0016","5.1818","0.0004","7.3296","0.0005","90","","100.94","0.002","90","","829.46","0.1","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0531","0.0367","","","0.0666","0.0716","","","","","","1.024","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126106","22.2521","0.0016","5.1837","0.0004","7.3301","0.0005","90","","101.04","0.002","90","","829.87","0.1","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0671","0.0426","","","0.0702","0.0774","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126107","22.251","0.0016","5.1888","0.0004","7.3397","0.0005","90","","100.933","0.002","90","","832.03","0.1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0646","0.0407","","","0.067","0.0733","","","","","","1.008","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126108","22.2551","0.0016","5.1918","0.0004","7.3461","0.0005","90","","100.931","0.002","90","","833.4","0.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0695","0.0432","","","0.0694","0.0762","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126109","22.2721","0.0015","5.1991","0.0003","7.3568","0.0005","90","","100.904","0.002","90","","836.5","0.09","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.068","0.04","","","0.0642","0.0706","","","","","","1.023","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126110","22.2938","0.0015","5.2044","0.0004","7.3649","0.0005","90","","100.915","0.002","90","","839.06","0.1","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0566","0.0364","","","0.063","0.0682","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126111","22.3078","0.0018","5.2074","0.0004","7.367","0.0006","90","","100.931","0.003","90","","840.26","0.12","323","2","323","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0631","0.039","","","0.0707","0.078","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126112","22.351","0.002","5.2166","0.0004","7.3765","0.0006","90","","101.008","0.003","90","","844.25","0.12","363","2","363","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0762","0.0435","","","0.082","0.0916","","","","","","1.043","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126113","9.8055","0.001","13.4551","0.0013","15.5005","0.0015","67.404","0.002","88.581","0.002","83.35","0.002","1874.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl9 D3 N O4 -","- C37 H23 Cl9 D3 N O4 -","- C74 H46 Cl18 D6 N2 O8 -","2","1","","Maier, Josef M.; Li, Ping; Vik, Erik C.; Yehl, Christopher J.; Strickland, Sharon M. S.; Shimizu, Ken D.","Measurement of Solvent OH-π Interactions Using a Molecular Balance.","Journal of the American Chemical Society","2017","139","19","6550","6553","10.1021/jacs.7b02349","","","0.71073","MoKα","","0.0649","0.0551","","","0.1463","0.1527","","","","","","1.04","","","","has coordinates","197255","2020-10-21","18:00:00",""
"4126114","6.9466","0.0005","7.5493","0.0005","13.1221","0.0009","97.113","0.002","100.141","0.002","104.254","0.002","646.39","0.08","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","1","1","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0244","0.0242","","","0.0674","0.0676","","","","","","1.06","","","","has coordinates","197256","2020-10-21","18:00:00",""
"4126115","27.492","0.003","5.2268","0.0007","27.504","0.005","90","","112.44","0.008","90","","3652.9","0.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.1826","0.1487","","","0.3346","0.3623","","","","","","1.277","","","","has coordinates","197257","2020-10-21","18:00:00",""
"4126116","13.2953","0.0003","15.9523","0.0004","16.985","0.0004","90","","104.356","0.001","90","","3489.87","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Pb -","- C39 H57 Pb -","- C156 H228 Pb4 -","4","1","","Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.","Journal of the American Chemical Society","2017","139","19","6542","6545","10.1021/jacs.7b01856","","","0.71073","MoKα","","0.0444","0.0282","","","0.0572","0.0616","","","","","","1.018","","","","has coordinates","197258","2020-10-21","18:00:00",""
"4126117","16.9857","0.0007","5.9677","0.0003","17.1136","0.0007","90","","112.883","0.001","90","","1598.21","0.12","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Au N -","- C21 H14 Au N -","- C84 H56 Au4 N4 -","4","1","","Seki, Tomohiro; Tokodai, Noriaki; Omagari, Shun; Nakanishi, Takayuki; Hasegawa, Yasuchika; Iwasa, Takeshi; Taketsugu, Tetsuya; Ito, Hajime","Luminescent Mechanochromic 9-Anthryl Gold(I) Isocyanide Complex with an Emission Maximum at 900 nm after Mechanical Stimulation.","Journal of the American Chemical Society","2017","139","19","6514","6517","10.1021/jacs.7b00587","","","0.71075","MoKα","","0.0401","0.0376","","","0.0965","0.0981","","","","","","1.146","","","","has coordinates","197259","2020-10-21","18:00:00",""
"4126118","10.7971","0.0012","11.4825","0.0013","12.3601","0.0014","89.49","0.002","65.116","0.002","71.217","0.002","1301.7","0.3","213.5","","213.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 B N4 O2 P -","- C27 H34 B N4 O2 P -","- C54 H68 B2 N8 O4 P2 -","2","1","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.0659","0.0589","","","0.1701","0.1746","","","","","","1.267","","","","has coordinates","197260","2020-10-21","18:00:00",""
"4126119","18.021","0.0018","10.4127","0.0015","50.4404","0.0019","90","","90.378","0.003","90","","9464.8","1.7","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","CF050","","","- C26 H35 B O2 -","- C26 H35 B O2 -","- C416 H560 B16 O32 -","16","2","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","","0.71073","MoKα","","0.152","0.0847","","","0.2258","0.2597","","","","","","1.06","","","","has coordinates,has disorder","197261","2020-10-21","18:00:00",""
"4126120","8.987","0.002","10.2","0.003","27.625","0.007","90","","93.447","0.004","90","","2527.7","1.1","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 B -","- C30 H39 B -","- C120 H156 B4 -","4","1","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","x-ray","0.71073","MoKα","","0.078","0.0533","","","0.1503","0.1608","","","","","","0.984","","","","has coordinates","197261","2020-10-21","18:00:00",""
"4126121","26.2225","0.0007","14.9508","0.0005","29.2628","0.0008","90","","99.579","0.002","90","","11312.4","0.6","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H135 Ag Au20 S15 -","- C60 H135 Ag Au20 S15 -","- C240 H540 Ag4 Au80 S60 -","4","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","1.54178","CuKα","","0.1157","0.0831","","","0.2223","0.2486","","","","","","1.041","","","","has coordinates","197262","2020-10-21","18:00:00",""
"4126122","26.1635","0.0017","15.0108","0.001","29.0512","0.0019","90","","99.1239","0.0009","90","","11265.1","1.3","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H135 Ag5.2 Au15.81 S15 -","- C60 H135 Ag4.93 Au16.07 S15 -","- C240 H540 Ag19.72 Au64.28 S60 -","4","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","0.71073","MoKα","","0.1415","0.0601","","","0.1267","0.156","","","","","","1.006","","","","has coordinates,has disorder","197263","2020-10-21","18:00:00",""
"4126123","17.4243","0.0012","9.9387","0.0007","11.9804","0.0008","90","","90.039","0.002","90","","2074.7","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","","Ma, Xiaoshen; Dang, Hester; Rose, John A.; Rablen, Paul; Herzon, Seth B.","Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.","Journal of the American Chemical Society","2017","139","16","5998","6007","10.1021/jacs.7b02388","","","0.71073","MoKα","","0.0405","0.0303","","","0.0818","0.0843","","","","","","1.033","","","","has coordinates","197264","2020-10-21","18:00:00",""
"4126124","29.723","0.002","5.8059","0.0004","38.396","0.003","90","","110.525","0.002","90","","6205.3","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C264 H300 N36 O72 -","12","3","","Ma, Xiaoshen; Dang, Hester; Rose, John A.; Rablen, Paul; Herzon, Seth B.","Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.","Journal of the American Chemical Society","2017","139","16","5998","6007","10.1021/jacs.7b02388","","","1.54178","CuKα","","0.0658","0.042","","","0.0897","0.1013","","","","","","1.041","","","","has coordinates","197265","2020-10-21","18:00:00",""
"4126125","20.0813","0.0006","7.5198","0.0002","12.1237","0.0003","90","","91.565","0.001","90","","1830.09","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","2","","Schäfer, Mathias; Peckelsen, Katrin; Paul, Mathias; Martens, Jonathan; Oomens, Jos; Berden, Giel; Berkessel, Albrecht; Meijer, Anthony J. H. M.","Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy.","Journal of the American Chemical Society","2017","139","16","5779","5786","10.1021/jacs.6b10348","","","1.54178","CuKα","","0.0388","0.0354","","","0.0949","0.1038","","","","","","1.148","","","","has coordinates","197266","2020-10-21","18:00:00",""
"4126126","27.051","0.015","16.451","0.009","10.734","0.006","90","","90","","90","","4777","5","110","2","110.15","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C180 H156 Cl4 F24 N4 O24 P8 Pt4 S8 Sb4 -","4","0.5","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0459","0.0389","","","0.0899","0.0938","","","","","","1.103","","","","has coordinates,has disorder","197267","2020-10-21","18:00:00",""
"4126127","8.9044","0.0015","10.1505","0.0017","11.649","0.002","84.652","0.004","70.657","0.003","67.909","0.003","919.9","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F N O2 S -","- C21 H20 F N O2 S -","- C42 H40 F2 N2 O4 S2 -","2","2","","Wang, Dinghai; Wu, Lianqian; Wang, Fei; Wan, Xiaolong; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines.","Journal of the American Chemical Society","2017","139","20","6811","6814","10.1021/jacs.7b02455","","","0.71073","MoKα","","0.0648","0.0583","","","0.1534","0.1616","","","","","","1.046","","","","has coordinates","197268","2020-10-21","18:00:00",""
"4126128","42.669","0.007","21.909","0.003","24.6933","0.0006","90","","90","","90","","23084","5","77","","77","","","","","","","","","3","F m m 2","F 2 -2","42","","Hf-BTE-MOF-L","","- C68 Hf6 O29 -","- C68 Hf6 O29 -","- C544 Hf48 O232 -","8","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.113","0.0937","","","0.2201","0.2407","","","","","","0.894","","","","has coordinates","197269","2020-10-21","18:00:00",""
"4126129","16.1139","0.0017","27.702","0.003","22.922","0.002","90","","90.854","0.002","90","","10231","1.8","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neijk47","","","- C99.62 H162.25 Br Fe Mg O0.38 P2 Si3 -","- C99.623 H162.246 Br Fe Mg O0.377 P2 Si3 -","- C398.492 H648.984 Br4 Fe4 Mg4 O1.508 P8 Si12 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.081","0.0463","","","0.0922","0.1061","","","","","","1.007","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126130","13.9106","0.0009","25.8957","0.0017","26.9693","0.0018","90","","95.6239","0.0015","90","","9668.2","1.1","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neijk48","","","- C95 H151 Br Fe Mg N2 P2 Si3 -","- C95 H151 Br Fe Mg N2 P2 Si3 -","- C380 H604 Br4 Fe4 Mg4 N8 P8 Si12 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.0848","0.0597","","","0.1243","0.1355","","","","","","1.063","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126131","12.944","0.003","13.667","0.003","29.998","0.007","84.342","0.005","87.967","0.005","63.56","0.005","4728.4","1.9","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neijk63","","","- C90 H144 Br2 Fe Mg P2 Si2 -","- C90 H144 Br2 Fe Mg P2 Si2 -","- C180 H288 Br4 Fe2 Mg2 P4 Si4 -","2","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.1211","0.0605","","","0.123","0.1447","","","","","","1.009","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126132","14.4563","0.0017","30.137","0.004","18.788","0.002","90","","110.4","0.002","90","","7672","1.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","neijk64","","","- C77 H120 Br Fe O P2 Si -","- C77 H120 Br Fe O P2 Si -","- C308 H480 Br4 Fe4 O4 P8 Si4 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.09","0.0535","","","0.1146","0.132","","","","","","1.01","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126133","16.36","0.0009","19.2117","0.001","27.0378","0.0014","90","","90.482","0.001","90","","8497.8","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neijk75","","","- C84 H130 Br Fe P2 Si2 -","- C84 H130 Br Fe P2 Si2 -","- C336 H520 Br4 Fe4 P8 Si8 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.0801","0.043","","","0.0876","0.1","","","","","","1.015","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126134","14.174","0.003","17.662","0.003","22.244","0.004","75.415","0.003","86.088","0.003","70.328","0.003","5073.8","1.7","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neijk78","","","- C82 H116 Br2 Fe Mg2 O2 P2 -","- C82 H116 Br2 Fe Mg2 O2 P2 -","- C164 H232 Br4 Fe2 Mg4 O4 P4 -","2","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.1366","0.0644","","","0.1485","0.1746","","","","","","0.972","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126135","14.0458","0.0009","20.6508","0.0013","14.499","0.0009","90","","93.587","0.004","90","","4197.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MA_03_102","MA_03_102","","- C45 H65 Cu N2 O Si -","- C45 H65 Cu N2 O Si -","- C180 H260 Cu4 N8 O4 Si4 -","4","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0818","0.0409","","","0.0876","0.1034","","","","","","0.996","","","","has coordinates,has disorder","197271","2020-10-21","18:00:00",""
"4126136","12.477","0.0009","8.3561","0.0003","15.4163","0.0008","90","","106.701","0.007","90","","1539.49","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.0821","0.0524","","","0.1105","0.1288","","","","","","1.055","","","","has coordinates","197272","2020-10-21","18:00:00",""
"4126137","18.5033","0.0009","10.5908","0.0005","68.072","0.002","90","","91.094","0.004","90","","13337.3","1","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74.5 N8 O8.5 -","- C77 H70.5 N8 O8.5 -","- C616 H564 N64 O68 -","8","1","","Leigh, David A.; Marcos, Vanesa; Nalbantoglu, Tugrul; Vitorica-Yrezabal, Iñigo J; Yasar, F. Tuba; Zhu, Xiaokang","Pyridyl-Acyl Hydrazone Rotaxanes and Molecular Shuttles.","Journal of the American Chemical Society","2017","139","20","7104","7109","10.1021/jacs.7b03307","","x-ray","1.54184","CuKα","","0.1161","0.0921","","","0.2452","0.2641","","","","","","1.044","","","","has coordinates,has disorder","197273","2020-10-21","18:00:00",""
"4126138","12.916","0.003","7.5579","0.0017","25.872","0.005","90","","99.551","0.009","90","","2490.6","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","4","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.123","0.0849","","","0.2013","0.2263","","","","","","1.116","","","","has coordinates","197274","2020-10-21","18:00:00",""
"4126139","7.3868","0.0002","11.9333","0.0004","15.7316","0.0004","90","","98.146","0.001","90","","1372.73","0.07","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O4 S -","- C15 H10 N2 O4 S -","- C60 H40 N8 O16 S4 -","4","1","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","x-ray","0.71073","MoKα","","0.0323","0.0291","","","0.0759","0.0783","","","","","","1.059","","","","has coordinates","197275","2020-10-21","18:00:00",""
"4126140","6.3237","0.0014","13.019","0.003","15.609","0.004","90","","91.713","0.014","90","","1284.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.099","0.0503","","","0.1032","0.1209","","","","","","0.986","","","","has coordinates","197276","2020-10-21","18:00:00",""
"4126141","13.2883","0.0012","13.0485","0.0016","26.3951","0.0012","90","","92.308","0.007","90","","4573","0.7","100","2","100.15","","","","","","","","dichloromethane","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H80 Cl14 F24 N8 P4 Rh2 Sb4 -","- C62 H80 Cl14 F24 N8 P4 Rh2 Sb4 -","- C124 H160 Cl28 F48 N16 P8 Rh4 Sb8 -","2","0.5","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.0672","0.0593","","","0.1638","0.1762","","","","","","1.054","","","","has coordinates,has disorder","296166","2024-11-29","15:16:35",""
"4126142","27.455","0.002","8.9353","0.0007","19.0572","0.0014","90","","125.169","0.002","90","","3821.7","0.5","100","2","100","","","","","","","","Methanol_Diethylether","2","C 1 2/c 1","-C 2yc","15","","ddd","","- C28 H22 -","- C28 H22 -","- C224 H176 -","8","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","1.54178","Cu-Kα","","0.0383","0.0371","","","0.0975","0.0986","","","","","","1.034","","","","has coordinates","197278","2020-10-21","18:00:00",""
"4126143","19.5245","0.0008","12.172","0.0011","17.6079","0.001","90","","102.298","0.004","90","","4088.5","0.5","100","2","100.15","","","","","","","","acetonitrile","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 B2 Cl2 F8 N4 P2 -","- C37 H44 B2 Cl2 F8 N4 P2 -","- C148 H176 B8 Cl8 F32 N16 P8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.042","0.0342","","","0.0892","0.0949","","","","","","1.052","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4126144","17.976","0.006","14.1503","0.0012","17.202","0.005","90","","100.4","0.03","90","","4304","2","100","","100","","","","","","","","acetone,DCM","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2 -","- C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2 -","- C116 H144 Cl8 F48 I8 N16 P8 Pt4 Sb8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.042","0.0342","","","0.0832","0.0883","","","","","","1.051","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4126145","14.408","0.003","15.791","0.004","24.221","0.003","90","","90","","90","","5510.7","1.9","103","2","103","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H72 B2 Cl3 Cu3 N4 -","- C54 H72 B2 Cl3 Cu3 N4 -","- C216 H288 B8 Cl12 Cu12 N16 -","4","0.5","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0422","0.0316","","","0.0787","0.084","","","","","","1.028","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126146","21.5235","0.0009","12.3413","0.0005","25.5747","0.0011","90","","110.501","0.001","90","","6363.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 B2 Cu2 N4 Si2 -","- C64 H90 B2 Cu2 N4 Si2 -","- C256 H360 B8 Cu8 N16 Si8 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0358","0.03","","","0.0772","0.0805","","","","","","1.026","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126147","14.58","0.007","16.059","0.009","24.981","0.013","90","","93.26","0.04","90","","5840","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 B2 Cl2 Cu2 N4 -","- C60 H78 B2 Cl2 Cu2 N4 -","- C240 H312 B8 Cl8 Cu8 N16 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0816","0.0448","","","0.0987","0.1137","","","","","","1.025","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126148","33.1271","0.0007","33.1271","0.0007","10.8586","0.0003","90","","90","","120","","10319.8","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C84 H87 N9 -","- C84 H87 N9 -","- C504 H522 N54 -","6","0.333333","","Ke, Xian-Sheng; Kim, Taeyeon; Brewster, 2nd, James T; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Expanded Rosarin: A Versatile Fullerene (C60) Receptor.","Journal of the American Chemical Society","2017","139","13","4627","4630","10.1021/jacs.7b00735","","","1.54184","CuKα","","0.0417","0.0358","","","0.0849","0.0884","","","","","","1.032","","","","has coordinates","197282","2020-10-21","18:00:00",""
"4126149","19.2543","0.0004","20.7309","0.0004","29.5488","0.0006","85.803","0.001","82.661","0.001","74.247","0.001","11249.5","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","[LCo3(C6H16N2)3]_3TFPB_2H2O_1.5MeOH","","","- C217.5 H196 B3 Co3 F72 N12 O15.5 -","- C217.5 H196 B3 Co3 F72 N12 O15.5 -","- C435 H392 B6 Co6 F144 N24 O31 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Nabeshima, Tatsuya","A Metallo-molecular Cage That Can Close the Apertures with Coordination Bonds.","Journal of the American Chemical Society","2017","139","13","4631","4634","10.1021/jacs.7b00840","","","0.71073","MoKα","","0.1469","0.0791","","","0.1801","0.2166","","","","","","1.093","","","","has coordinates,has disorder","197283","2020-10-21","18:00:00",""
"4126150","15.119","0.002","20.012","0.003","17.444","0.003","90","","96.09","0.004","90","","5248.1","1.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","La2c2@C2-C98 3CS2","La2c2@C2-C98 3CS2","","- C103 La2 S6 -","- C103 La1.9996 S6 -","- C412 La7.9984 S24 -","4","1","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.0909","0.0803","","","0.2152","0.2252","","","","","","1.04","","","","has coordinates","197284","2020-10-21","18:00:00",""
"4126151","17.2709","0.0008","19.3481","0.0006","22.494","0.001","85.767","0.005","80.923","0.007","84.766","0.009","7378","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 Cl32.12 O1.07 V0.71 -","- C84 Cl32.1257 O1.0665 V0.7112 -","- C336 Cl128.503 O4.266 V2.8448 -","4","2","","Jin, Fei; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","Skeletal Transformation of a Classical Fullerene C88 into a Nonclassical Fullerene Chloride C84Cl30 Bearing Quaternary Sequentially Fused Pentagons.","Journal of the American Chemical Society","2017","139","13","4651","4654","10.1021/jacs.7b01490","","","0.895","synchrotron","","0.0717","0.0618","","","0.1446","0.1494","","","","","","0.999","","","","has coordinates","197285","2020-10-21","18:00:00",""
"4126152","10.89189","0.00007","11.24945","0.00008","14.39801","0.00009","90","","90","","90","","1764.16","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Sanchez-Sanchez, Ana; Rivilla, Ivan; Agirre, Maddalen; Basterretxea, Andere; Etxeberria, Agustin; Veloso, Antonio; Sardon, Haritz; Mecerreyes, David; Cossío, Fernando P","Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by Densely Substituted Amino Acids.","Journal of the American Chemical Society","2017","139","13","4805","4814","10.1021/jacs.6b13080","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.077","0.0771","","","","","","1.059","","","","has coordinates","197286","2020-10-21","18:00:00",""
"4126153","22.12","0.0017","22.8814","0.0016","9.7523","0.0007","90","","90","","90","","4936","0.6","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","compound4","compound4","","- C57 H63 O P2 Rh S Si -","- C57 H63 O P2 Rh S Si -","- C228 H252 O4 P8 Rh4 S4 Si4 -","4","1","","Lee, Taegyo; Hartwig, John F.","Mechanistic Studies on Rhodium-Catalyzed Enantioselective Silylation of Aryl C-H Bonds.","Journal of the American Chemical Society","2017","139","13","4879","4886","10.1021/jacs.7b00737","","","0.71073","MoKα","","0.0224","0.0207","","","0.0457","0.0466","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126154","17.2315","0.0015","12.7392","0.0011","19.4043","0.0016","90","","90","","90","","4259.5","0.6","100","2","100.04","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C30.44 H68.49 Mn4.39 N8 O1.17 -","- C30.436 H68.481 Mn4.391 N8 O1.173 -","- C121.744 H273.924 Mn17.564 N32 O4.692 -","4","0.5","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.0285","0.0267","","","0.0645","0.0662","","","","","","1.083","","","","has coordinates,has disorder","197288","2020-10-21","18:00:00",""
"4126155","34.7647","0.0011","34.7647","0.0011","10.8425","0.0004","90","","90","","120","","11348.5","0.7","100","2","99.95","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C28 H64 Mn4 N8 -","- C28 H63.625 Mn4 N8 -","- C336 H763.5 Mn48 N96 -","12","0.666667","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.023","0.0215","","","0.0543","0.0551","","","","","","1.042","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"4126156","9.801","0.0002","29.7197","0.0007","16.1655","0.0004","90","","95.389","0.001","90","","4687.92","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu2((1,4-bis(4-tolyl)-1,2,3-triazolide)DPFN](NTf2)","","","- C48 H34 Cu2 F8 N10 O4 S2 -","- C48 H34 Cu2 F8 N10 O4 S2 -","- C192 H136 Cu8 F32 N40 O16 S8 -","4","1","","Ziegler, Micah S.; Lakshmi, K. V.; Tilley, T. Don","Dicopper Cu(I)Cu(I) and Cu(I)Cu(II) Complexes in Copper-Catalyzed Azide-Alkyne Cycloaddition.","Journal of the American Chemical Society","2017","139","15","5378","5386","10.1021/jacs.6b13261","","","0.71073","MoKα","","0.0384","0.0332","","","0.085","0.0881","","","","","","1.027","","","","has coordinates,has disorder","197289","2020-10-21","18:00:00",""
"4126157","5.1711","0.0002","8.6014","0.0002","38.2861","0.0012","90","","90","","90","","1702.92","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N O4 S -","- C16 H17 F4 N O4 S -","- C64 H68 F16 N4 O16 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0723","0.0712","","","0.1529","0.1549","","","","","","1.054","","","","has coordinates","197290","2020-10-21","18:00:00",""
"4126158","5.8162","0.0008","14.731","0.002","14.1976","0.0019","90","","95.494","0.003","90","","1210.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 O6 P -","- C23 H35 O6 P -","- C46 H70 O12 P2 -","2","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0776","0.06","","","0.1218","0.131","","","","","","1.001","","","","has coordinates,has disorder","197291","2020-10-21","18:00:00",""
"4126159","11.5579","0.0003","13.5603","0.0004","14.1952","0.0004","90","","90","","90","","2224.79","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N3 O5 -","- C25 H20 Cl N3 O5 -","- C100 H80 Cl4 N12 O20 -","4","1","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.0235","0.023","","","0.0602","0.0605","","","","","","1.02","","","","has coordinates","197292","2020-10-21","18:00:00",""
"4126160","12.1129","0.0009","12.7793","0.001","13.0678","0.001","69.583","0.002","68.112","0.002","75.921","0.002","1744.1","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 N6 O9 -","- C34 H46 N6 O9 -","- C68 H92 N12 O18 -","2","1","","Shen, Jie; Ren, Changliang; Zeng, Huaqiang","Surprisingly High Selectivity and High Affinity in Mercury Recognition by H-Bonded Cavity-Containing Aromatic Foldarands.","Journal of the American Chemical Society","2017","139","15","5387","5396","10.1021/jacs.6b13342","","","0.71073","MoKα","","0.1344","0.0642","","","0.1561","0.1967","","","","","","1.016","","","","has coordinates,has disorder","197293","2020-10-21","18:00:00",""
"4126161","8.0948","0.0003","6.72581","0.00017","9.5368","0.0003","90","","110.999","0.004","90","","484.74","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O2 -","- C10 H8 F3 N O2 -","- C20 H16 F6 N2 O4 -","2","1","","Tinoco, Antonio; Steck, Viktoria; Tyagi, Vikas; Fasan, Rudi","Highly Diastereo- and Enantioselective Synthesis of Trifluoromethyl-Substituted Cyclopropanes via Myoglobin-Catalyzed Transfer of Trifluoromethylcarbene.","Journal of the American Chemical Society","2017","139","15","5293","5296","10.1021/jacs.7b00768","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0791","0.0796","","","","","","1.065","","","","has coordinates","197294","2020-10-21","18:00:00",""
"4126162","8.3602","0.0006","20.2111","0.0016","23.8869","0.0017","90","","90","","90","","4036.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C163 H43 B4 Cl9 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","MoKα","","0.2302","0.1484","","","0.3648","0.4047","","","","","","1.344","","","","has coordinates","197295","2020-10-21","18:00:00",""
"4126163","12.4697","0.0019","11.1813","0.0015","16.959","0.003","90","","101.431","0.003","90","","2317.6","0.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H39 Fe2 N P2 Si2 -","- C12 H39 Fe2 N P2 Si2 -","- C48 H156 Fe8 N4 P8 Si8 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.031","0.0271","","","0.0744","0.0769","","","","","","1.066","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126164","12.2","","12.193","","21.38","","90","","96.986","","90","","3156.76","","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Fe2 N P2 Si2 -","- C25 H43 Fe2 N P2 Si2 -","- C100 H172 Fe8 N4 P8 Si8 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0508","0.0447","","","0.1285","0.1338","","","","","","1.086","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126165","12.824","0.002","19.427","0.003","12.822","0.002","90","","119.741","0.004","90","","2773.6","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H102 Fe4 N2 P4 Si4 -","- C36 H102 Fe4 N2 P4 Si4 -","- C72 H204 Fe8 N4 P8 Si8 -","2","0.5","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0474","0.0326","","","0.0692","0.0751","","","","","","1.051","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126166","9.093","0.0015","17.649","0.003","18.004","0.003","90","","104.213","0.002","90","","2800.9","0.8","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H51 Fe3 P5 -","- C15 H51 Fe3 P5 -","- C60 H204 Fe12 P20 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0367","0.0305","","","0.0778","0.0813","","","","","","1.097","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126167","56.57","0.02","9.416","0.003","20.221","0.009","90","","109.6","0.001","90","","10147","7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H82 Fe4 N4 Si8 -","- C31 H82 Fe4 N4 Si8 -","- C248 H656 Fe32 N32 Si64 -","8","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0661","0.0491","","","0.1556","0.1606","","","","","","1.139","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126168","11.6275","0.0011","12.8701","0.001","13.8878","0.001","68.049","0.004","80.992","0.005","84.412","0.006","1902.1","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H46 Fe2 P2 S -","- C36.5 H46 Fe2 P2 S -","- C73 H92 Fe4 P4 S2 -","2","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0449","0.041","","","0.1318","0.135","","","","","","1.1","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126169","17.01","","14.8254","","27.41","","90","","104.343","","90","","6696.8","","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H94 Fe4 N2 O P2 Si6 -","- C55 H94 Fe4 N2 O P2 Si6 -","- C220 H376 Fe16 N8 O4 P8 Si24 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0544","0.0455","","","0.1185","0.1221","","","","","","0.935","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126170","14.5261","0.0014","14.9231","0.0014","19.419","0.002","87.674","0.006","84.043","0.006","62.903","0.004","3727.1","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H114 Fe6.4 N6 Si12 -","- C42 H114 Fe6.4 N6 Si12 -","- C84 H228 Fe12.8 N12 Si24 -","2","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0854","0.0626","","","0.1849","0.2001","","","","","","0.881","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126171","9.961","0.005","14.995","0.005","23.36","0.005","90","0.005","101.013","0.005","90","0.005","3425","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 Co3 Mn N3 O14 -","- C26 H32 Cl2 Co3 Mn N3 O14 -","- C104 H128 Cl8 Co12 Mn4 N12 O56 -","4","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0835","0.0684","","","0.1626","0.1746","","","","","","1.035","","","","has coordinates","197297","2020-10-21","18:00:00",""
"4126172","14.9291","0.0004","19.8299","0.0005","23.3866","0.0007","90","","95.45","0.002","90","","6892.1","0.3","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H0 Cl Co3 Mn N3 O12 -","- C24.5 H30 Cl4 Co3 Mn N3 O12 -","- C196 H240 Cl32 Co24 Mn8 N24 O96 -","8","2","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0867","0.0569","","","0.1303","0.1464","","","","","","1.028","","","","has coordinates","197298","2020-10-21","18:00:00",""
"4126173","17.957","0.005","11.196","0.005","21.836","0.005","90","0.005","90","0.005","90","0.005","4390","3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C108 H140 Cl32 Co12 Mn4 N20 O64 -","8","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0623","0.0515","","","0.1579","0.1721","","","","","","1.047","","","","has coordinates","197299","2020-10-21","18:00:00",""
"4126174","11.348","0.005","25.096","0.014","15.243","0.007","90","","99.341","0.009","90","","4283","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","ain8159","","","- C30 H36 Cl4 Co3 F6 Mn N4 O12 P -","- C30 H36 Cl4 Co3 F6 Mn N4 O12 P -","- C120 H144 Cl16 Co12 F24 Mn4 N16 O48 P4 -","4","0.5","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0798","0.0515","","","0.1333","0.1729","","","","","","1.06","","","","has coordinates,has disorder","197300","2020-10-21","18:00:00",""
"4126175","9.8618","0.0004","6.3632","0.0002","11.405","0.0006","90","","112.453","0.005","90","","661.44","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C24 H26 Cl6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.045","0.0354","","","0.08","0.0874","","","","","","1.046","","","","has coordinates","197301","2020-10-21","18:00:00",""
"4126176","10.6982","0.0005","30.0863","0.0014","13.1081","0.0006","90","","103.64","0.001","90","","4100.1","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 Fe N7 O8 -","- C44 H39 Cl2 Fe N7 O8 -","- C176 H156 Cl8 Fe4 N28 O32 -","4","1","","Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael","A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.","Journal of the American Chemical Society","2017","139","18","6437","6447","10.1021/jacs.7b02098","","","0.71073","MoKα","","0.0627","0.0466","","","0.1276","0.1436","","","","","","1.049","","","","has coordinates,has disorder","197302","2020-10-21","18:00:00",""
"4126177","13.464","0.003","16.332","0.004","13.454","0.003","90","","96.9226","0.0019","90","","2936.9","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl3 N2 Nb -","- C28 H40 Cl3 N2 Nb -","- C112 H160 Cl12 N8 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0324","0.0303","","","0.0766","0.0781","","","","","","1.035","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126178","10.3441","0.001","12.4185","0.0011","21.662","0.002","90","","90.088","0.005","90","","2782.7","0.4","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl3 N2 Nb -","- C26 H36 Cl3 N2 Nb -","- C104 H144 Cl12 N8 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.1432","0.0993","","","0.263","0.2978","","","","","","1.054","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126179","8.9239","0.0008","8.9564","0.0009","10.7523","0.001","83.181","0.003","71.363","0.003","67.662","0.003","753.21","0.13","113","","113","","","","","","","","","5","P 1","P 1","1","","","","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","1","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0757","0.0608","","","0.1589","0.1865","","","","","","1.01","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126180","10.4231","0.0009","12.6112","0.0009","21.4888","0.0015","90.1387","0.0018","90.051","0.003","90.043","0.003","2824.6","0.4","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl4 N2 Nb -","- C26 H36 Cl4 N2 Nb -","- C104 H144 Cl16 N8 Nb4 -","4","2","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","","0.0872","","","","0.2344","","","","","","1.043","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126181","15.1156","0.0012","13.154","0.0008","24.238","0.003","90","","104.615","0.004","90","","4663.3","0.7","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 Cl4 N3 Nb -","- C42 H72 Cl4 N3 Nb -","- C168 H288 Cl16 N12 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","","0.0608","","","","0.1613","","","","","","1.127","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126182","35.943","0.003","35.943","0.003","35.943","0.003","90","","90","","90","","46435","7","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","ZIF-360","","","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C902.4 H676.8 N465.6 O163.2 Zn96 -","48","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.066","0.0597","","","0.1815","0.1875","","","","","","1.095","","","","has coordinates,has disorder","197304","2020-10-21","18:00:00",""
"4126183","22.688","0.003","22.688","0.003","22.688","0.003","90","","90","","90","","11679","3","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","ZIF-376","","","- C7.25 H5.75 N4.25 O0.5 Zn -","- C7.25 H5.625 N4.25 O0.5 Zn -","- C174 H135 N102 O12 Zn24 -","24","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.1366","0.1189","","","0.3241","0.3415","","","","","","1.092","","","","has coordinates,has disorder","197305","2020-10-21","18:00:00",""
"4126184","26.9457","0.0015","26.9457","0.0015","26.763","0.002","90","","90","","120","","16828.5","1.8","298","2","298","2","","","","","","","","6","R -3","-R 3","148","ZIF-303","","","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C270 H144 Cl18 N153 O18 Zn36 -","36","","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.2176","0.1247","","","0.3101","0.4031","","","","","","1.189","","","","has coordinates,has disorder","197306","2020-10-21","18:00:00",""
"4126185","25.9453","0.0006","25.9453","0.0006","19.5015","0.0006","90","","90","","120","","11368.8","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-410","","","- C11 H7 Cl N4 O Zn -","- C11 H7 Cl N4 O Zn -","- C264 H168 Cl24 N96 O24 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.0765","0.0692","","","0.2403","0.2506","","","","","","1.138","","","","has coordinates,has disorder","197307","2020-10-21","18:00:00",""
"4126186","14.912","0.0005","21.0584","0.0007","7.2943","0.0003","90","","101.1","0.002","90","","2247.73","0.14","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","BAD1-BE","","","- C28 H25 B F2 N2 O2 -","- C28 H25 B F2 N2 O2 -","- C112 H100 B4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","1.54178","CuKα","","0.0613","0.058","","","0.1602","0.1639","","","","","","1.054","","","","has coordinates,has disorder","197308","2020-10-21","18:00:00",""
"4126187","14.258","0.0014","17.7595","0.0018","18.3616","0.0018","90","","106.098","0.003","90","","4467.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl14 P2 Sb2 -","- C31 H34 Cl14 P2 Sb2 -","- C124 H136 Cl56 P8 Sb8 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Isolable and Readily Handled Halophosphonium Pre-reagents for Hydro- and Deuteriohalogenation.","Journal of the American Chemical Society","2017","139","18","6329","6337","10.1021/jacs.6b12653","","","0.71073","MoKα","","0.067","0.0394","","","0.0783","0.087","","","","","","1.013","","","","has coordinates","197309","2020-10-21","18:00:00",""
"4126188","9.845","0.002","17.109","0.004","12.769","0.003","90","","98.083","0.005","90","","2129.4","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N Si -","- C27 H23 N Si -","- C108 H92 N4 Si4 -","4","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.0797","0.059","","","0.1582","0.1735","","","","","","1.093","","","","has coordinates","197310","2020-10-21","18:00:00",""
"4126189","6.5876","0.0005","11.5796","0.0009","23.9814","0.0019","90","","90","","90","","1829.3","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Versatile Construction of 6-Substituted cis-2,8-Dioxabicyclo[3.3.0]octan-3-ones: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C.","Journal of the American Chemical Society","2017","139","21","7192","7195","10.1021/jacs.7b04265","","","0.71073","MoKα","","0.0343","0.032","","","0.0822","0.084","","","","","","1.034","","","","has coordinates","197311","2020-10-21","18:00:00",""
"4126190","5.9182","0.0012","11.437","0.002","23.063","0.005","84.78","0.03","89.98","0.03","74.96","0.03","1500.9","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H10 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","2","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0572","0.0482","","","0.1128","0.1178","","","","","","1.059","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126191","6.029","0.0002","10.7498","0.0004","11.652","0.0004","90","","92.969","0.001","90","","754.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C34 H38 N6 O4 -","2","1","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0288","0.0273","","","0.0704","0.0711","","","","","","1.026","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126192","41.7868","0.0004","41.7868","0.0004","41.7868","0.0004","90","","90","","90","","72965.5","1.2","296","2","296.15","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C720 H816 Cu24 N48 O152 Zn32 -","- C720 H816 Cu24 N48 O152 Zn32 -","- C1440 H1632 Cu48 N96 O304 Zn64 -","2","0.0208333","","Xia, Qingchun; Li, Zijian; Tan, Chunxia; Liu, Yan; Gong, Wei; Cui, Yong","Multivariate Metal-Organic Frameworks as Multifunctional Heterogeneous Asymmetric Catalysts for Sequential Reactions.","Journal of the American Chemical Society","2017","139","24","8259","8266","10.1021/jacs.7b03113","","","1.54178","CuKα","","0.1709","0.1242","","","0.364","0.4225","","","","","","1.566","","","","has coordinates,has disorder","200657","2020-10-21","18:00:00",""
"4126193","25.4241","0.0007","25.4241","0.0007","30.4446","0.0008","90","","90","","90","","19678.9","0.9","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C77 H24 Cu12 N28 O39 Zn12 -","- C77 H24 Cu12 N28 O39 Zn12 -","- C154 H48 Cu24 N56 O78 Zn24 -","2","0.125","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.0761","0.0584","","","0.1701","0.1766","","","","","","1.095","","","","has coordinates","200672","2020-10-21","18:00:00",""
"4126194","38.3063","0.0006","38.3063","0.0006","47.3759","0.0017","90","","90","","120","","60204","3","258","2","258","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C144 H72 Cu24 N46 O91 Zn24 -","- C144 H72 Cu24 N46 O91 Zn24 -","- C432 H216 Cu72 N138 O273 Zn72 -","3","0.25","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1322","0.0779","","","0.1519","0.1603","","","","","","1.034","","","","has coordinates","200672","2020-10-21","18:00:00",""
"4126195","3.8141","0.0005","5.585","0.0008","14.3443","0.0019","95.385","0.009","96.169","0.009","94.844","0.008","301.07","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","1","0.5","","Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi","para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers.","Journal of the American Chemical Society","2017","139","24","8355","8363","10.1021/jacs.7b04031","","","0.7749","synchrotron","","0.0758","0.0525","","","0.1151","0.1251","","","","","","1.018","","","","has coordinates","200662","2020-10-21","18:00:00",""
"4126196","5.5076","0.0003","11.903","0.0007","14.5103","0.0008","86.927","0.003","81.604","0.003","76.84","0.003","916.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br2 N2 O2 S4 -","- C38 H44 Br2 N2 O2 S4 -","- C38 H44 Br2 N2 O2 S4 -","1","0.5","","Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi","para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers.","Journal of the American Chemical Society","2017","139","24","8355","8363","10.1021/jacs.7b04031","","","0.7749","synchrotron","","0.0518","0.0356","","","0.0789","0.0853","","","","","","1.042","","","","has coordinates,has disorder","200662","2020-10-21","18:00:00",""
"4126198","24.246","0.005","13.201","0.003","20.956","0.004","90","","110.86","0.03","90","","6268","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Keinan-93 (Ofer)","","","- C47 H74 Cl N32 O21 -","- C47 H74 Cl N32 O21 -","- C188 H296 Cl4 N128 O84 -","4","1","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.2001","0.1029","","","0.2561","0.2868","","","","","","1.397","","","","has coordinates","199576","2020-10-21","18:00:00",""
"4126199","12.707","0.0003","13.39","0.0003","20.362","0.0004","90","","103.126","0.0014","90","","3374.01","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Keinan-92 (Ofer)","","","- C48 H86 Cl2 N32 O24 -","- C48 H86 Cl2 N32 O24 -","- C96 H172 Cl4 N64 O48 -","2","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0879","0.063","","","0.1945","0.2092","","","","","","1.107","","","","has coordinates","199576","2020-10-21","18:00:00",""
"4126200","61.483","0.007","61.483","0.007","61.483","0.007","90","","90","","90","","232416","5","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C660 H570 Eu10 N90 O60 -","- C660 H570 Eu10 N90 O60 -","- C5280 H4560 Eu80 N720 O480 -","8","0.333333","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","","1","Synchrotron","","0.1349","0.1308","","","0.3287","0.3421","","","","","","1.906","","","","has coordinates","200659","2020-10-21","18:00:00",""
"4126201","9.333","0.009","11.991","0.007","24.067","0.016","90","","90","","90","","2693","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl N O P Pd -","- C31 H35 Cl N O P Pd -","- C124 H140 Cl4 N4 O4 P4 Pd4 -","4","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Dynamic Kinetic Resolution in Rhodium-Catalyzed Asymmetric Arylation of Phospholene Oxides.","Journal of the American Chemical Society","2017","139","24","8122","8125","10.1021/jacs.7b04570","","","0.71073","MoKα","","0.0767","0.052","","","0.0999","0.1101","","","","","","1.027","","","","has coordinates","199575","2020-10-21","18:00:00",""
"4126206","19.4252","0.0006","19.4252","0.0006","12.1355","0.0004","90","","90","","120","","3965.7","0.2","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H22 Cl3 N3 O3 -","- C21 H22 Cl3 N3 O3 -","- C126 H132 Cl18 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0495","0.045","","","0.1009","0.103","","","","","","1.007","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126207","19.4558","0.0004","19.4558","0.0004","11.4079","0.0002","90","","90","","120","","3739.68","0.13","93","","93","","","","","","","","","6","P 63","P 6c","173","","","","- C21 H23 Cl F N3 O3 -","- C21 H23 Cl F N3 O3 -","- C126 H138 Cl6 F6 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0508","0.0486","","","0.1266","0.128","","","","","","1.063","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126208","9.6942","0.0003","10.5648","0.0003","20.0832","0.0006","90","","90","","90","","2056.87","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C84 H92 Cl8 N12 O12 -","4","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.076","0.0664","","","0.1133","0.116","","","","","","1.095","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126209","38.2768","0.0018","38.2768","0.0018","34.6107","0.0016","90","","90","","120","","43915","4","90","2","90","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C180 H566 Cu24 N84 O253 -","- C180 H204 Cu24 N84 O253 -","- C540 H612 Cu72 N252 O759 -","3","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio","Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","24","8098","8101","10.1021/jacs.7b03633","","","0.71073","MoKα","","0.0763","0.0706","","","0.201","0.2095","","","","","","1.092","","","","has coordinates","200658","2020-10-21","18:00:00",""
"4126212","24.3868","0.0011","13.2612","0.0006","24.971","0.001","90","","90.327","0.002","90","","8075.4","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EcoMOF-1","","","- C76 H127 Ca14 O76 -","- C76 H127 Ca14 O76 -","- C152 H254 Ca28 O152 -","2","1","","Yang, Jingjing; Trickett, Christopher A.; Alahmadi, Salman B.; Alshammari, Ahmad S.; Yaghi, Omar M.","Calcium l-Lactate Frameworks as Naturally Degradable Carriers for Pesticides.","Journal of the American Chemical Society","2017","139","24","8118","8121","10.1021/jacs.7b04542","","","0.7749","synchrotron","","0.0755","0.0621","","","0.1685","0.1772","","","","","","1.076","","","","has coordinates,has disorder","200660","2020-10-21","18:00:00",""
"4126213","8.78","0.006","9.429","0.004","14.132","0.007","104.7","0.1","92.47","0.02","109.332","0.012","1057.4","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Marek116 (Fa-Guang)","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","","Zhang, Fa-Guang; Marek, Ilan","Brook Rearrangement as Trigger for Carbene Generation: Synthesis of Stereodefined and Fully Substituted Cyclobutenes.","Journal of the American Chemical Society","2017","139","24","8364","8370","10.1021/jacs.7b04255","","","0.71073","MoKα","","0.0969","0.0853","","","0.1692","0.1743","","","","","","1.188","","","","has coordinates","200661","2020-10-21","18:00:00",""
"4126214","13.4591","0.0011","24.504","0.004","19.268","0.003","90","","98.583","0.008","90","","6283.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H158 Co2 N18 Na4 O20 -","- C130 H158 Co2 N18 Na4 O20 -","- C260 H316 Co4 N36 Na8 O40 -","2","0.5","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1876","0.0983","","","0.1847","0.2343","","","","","","1.07","","","","has coordinates","199579","2020-10-21","18:00:00",""
"4126215","22.0036","0.0013","14.5281","0.0006","28.4397","0.0014","90","","94.568","0.005","90","","9062.5","0.8","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H124 Co2 N8 Na4 O26 -","- C90 H124 Co2 N8 Na4 O26 -","- C360 H496 Co8 N32 Na16 O104 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","x-ray","0.71073","MoKα","","0.2553","0.0972","","","0.1908","0.2549","","","","","","1.021","","","","has coordinates","199579","2020-10-21","18:00:00",""
"4126216","13.0057","0.0003","15.1594","0.0003","12.1103","0.0002","90","","99.971","0.002","90","","2351.59","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co K N2 O5 -","- C26 H26 Co K N2 O5 -","- C104 H104 Co4 K4 N8 O20 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.0548","0.0373","","","0.0796","0.0875","","","","","","1.031","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126217","18.65","0.002","15.4996","0.0018","7.5174","0.0009","90","","93.098","0.011","90","","2169.9","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Co K N2 O3 -","- C24 H22 Co K N2 O3 -","- C96 H88 Co4 K4 N8 O12 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1016","0.0802","","","0.2113","0.2272","","","","","","1.087","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126224","14.5045","0.0008","32.977","0.002","20.6961","0.0011","90","","90","","90","","9899.3","1","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","mke005","","","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C352 H408 Cu16 F48 N64 O68 S16 -","8","2","","Koepke, Sara J.; Light, Kenneth M.; VanNatta, Peter E.; Wiley, Keaton M.; Kieber-Emmons, Matthew T","Electrocatalytic Water Oxidation by a Homogeneous Copper Catalyst Disfavors Single-Site Mechanisms.","Journal of the American Chemical Society","2017","139","25","8586","8600","10.1021/jacs.7b03278","","","0.71073","MoKα","","0.0482","0.0377","","","0.0912","0.0959","","","","","","1.039","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4126225","10.6716","0.00019","11.1383","0.0002","34.5954","0.0006","90","","90","","90","","4112.13","0.13","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C160 H216 N8 O48 -","8","2","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54184","CuKα","","0.0351","0.0338","","","0.0725","0.073","","","","","","1.087","","","","has coordinates","200670","2020-10-21","18:00:00",""
"4126227","10.3814","0.0004","8.5313","0.0003","30.7969","0.0011","90","","99.6603","0.0005","90","","2688.91","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B O Si -","- C26 H47 B O Si -","- C104 H188 B4 O4 Si4 -","4","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0508","0.0434","","","0.123","0.1292","","","","","","1.067","","","","has coordinates,has disorder","200668","2020-10-21","18:00:00",""
"4126228","9.1353","0.0011","14.1491","0.0017","11.2404","0.0013","90","","108.677","0.002","90","","1376.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H49 B O Si -","- C28 H49 B O Si -","- C56 H98 B2 O2 Si2 -","2","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0553","0.0454","","","0.0981","0.1019","","","","","","1.009","","","","has coordinates","200668","2020-10-21","18:00:00",""
"4126231","9.2809","0.001","24.198","0.003","11.1739","0.0007","90","","104.854","0.004","90","","2425.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O13 -","- C20 H31 N O13 -","- C80 H124 N4 O52 -","4","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.03","0.0287","","","0.0726","0.0736","","","","","","1.034","","","","has coordinates","200667","2020-10-21","18:00:00",""
"4126232","9.1328","0.0005","22.1807","0.0012","26.2782","0.0014","90","","90","","90","","5323.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O12 -","- C20 H30 Br N O12 -","- C160 H240 Br8 N8 O96 -","8","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.0855","0.08","","","0.2241","0.2309","","","","","","1.147","","","","has coordinates,has disorder","200667","2020-10-21","18:00:00",""
"4126236","15.6525","0.0017","20.125","0.003","21.372","0.002","89.65","0.017","69.675","0.016","89.297","0.018","6312.7","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H150 Cl9 N8 Ni2 O -","- C134 H150 Cl9 N8 Ni2 O -","- C268 H300 Cl18 N16 Ni4 O2 -","2","1","","Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro","Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.","Journal of the American Chemical Society","2017","139","26","9075","9088","10.1021/jacs.7b05332","","","1.54187","CuKα","","0.072","0.06","","","0.169","0.1776","","","","","","1.073","","","","has coordinates,has disorder","199578","2020-10-21","18:00:00",""
"4126246","11.5773","0.0011","19.2314","0.0019","23.096","0.002","76.137","0.002","85.509","0.002","89.792","0.002","4976.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[iPr2NNF6]Cu-OtBu","","- C33 H44 Cu F6 N2 O -","- C33 H44 Cu F6 N2 O -","- C198 H264 Cu6 F36 N12 O6 -","6","3","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0817","0.0637","","","0.1577","0.1685","","","","","","1.065","","","","has coordinates,has disorder","200666","2020-10-21","18:00:00",""
"4126247","8.1196","0.0009","11.6482","0.0013","14.8107","0.0017","77.997","0.002","86.159","0.002","75.192","0.002","1324.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Me2NNF6]CuONC6F5","","- C27 H19 Cu F11 N3 O -","- C27 H19 Cu F11 N3 O -","- C54 H38 Cu2 F22 N6 O2 -","2","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0459","0.0363","","","0.0905","0.0942","","","","","","1.044","","","","has coordinates","200666","2020-10-21","18:00:00",""
"4126248","11.6396","0.0006","25.554","0.0015","12.6371","0.0008","90","","115.688","0.003","90","","3387.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[Me2NNF6]Cu-C6F5}{CoCp2}","","- C37 H29 Co Cu F11 N2 -","- C37 H29 Co Cu F11 N2 -","- C148 H116 Co4 Cu4 F44 N8 -","4","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0569","0.0349","","","0.068","0.0743","","","","","","1.033","","","","has coordinates","200666","2020-10-21","18:00:00",""
"4126266","33.5373","0.0006","36.1722","0.0006","50.1922","0.0016","90","","107.83","0.003","90","","57965","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C236 H170 F48 Fe4 N25 O5 S2 Sb7 -","- C235.35 H170 F27.03 Fe4 N24.675 O3.7 S1.35 Sb3.83 -","- C1882.8 H1360 F216.24 Fe32 N197.4 O29.6 S10.8 Sb30.64 -","8","2","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","synchrotron","","0.1357","0.116","","","0.3146","0.331","","","","","","1.034","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126267","80.9755","0.0012","80.9755","0.0012","30.813","0.0007","90","","90","","120","","174973","5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C243 H157.5 F48 Fe4 N31.5 O28 P S14 -","- C233.602 H157.5 F19.806 Fe4 N26.801 O9.204 P S4.602 -","- C4204.84 H2835 F356.508 Fe72 N482.418 O165.672 P18 S82.836 -","18","1","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","Synchrotron","","0.1851","0.1574","","","0.3924","0.4215","","","","","","1.382","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126268","42.055","0.0017","16.872","0.0007","42.2649","0.0018","90","","98.284","0.001","90","","29676","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C270.67 H204 As4.67 F48 Fe4 N27.33 O13.33 S6.67 -","- C270.667 H204 As4.6666 F48 Fe4 N27.3334 O13.3336 S6.6668 -","- C1082.67 H816 As18.6664 F192 Fe16 N109.334 O53.3344 S26.6672 -","4","0.5","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1439","0.1122","","","0.3109","0.337","","","","","","1.126","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126295","15.3374","0.0006","37.0863","0.0014","13.4231","0.0005","90","","104.892","0.0017","90","","7378.7","0.5","150","","150","","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.25 H34.5 Cl0.5 F12 N4 P2 Sb2 -","- C28.25 H34.5 Cl0.5 F12 N4 P2 Sb2 -","- C226 H276 Cl4 F96 N32 P16 Sb16 -","8","2","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","1.54178","Cu-Kα","","0.084","0.0724","","","0.1879","0.1972","","","","","","1.028","","","","has coordinates,has disorder","296166","2024-11-29","15:16:35",""
"4126296","17.492","0.002","15.774","0.002","17.985","0.002","90","","111.088","0.002","90","","4630.1","0.9","100","","100","","","","","","","","dichlormethane","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl D6 F12 N6 P2 Rh Sb2 -","- C32 H34 Cl D6 F12 N6 P2 Rh Sb2 -","- C128 H136 Cl4 D24 F48 N24 P8 Rh4 Sb8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","Mo-Kα","","0.0748","0.0511","","","0.103","0.1098","","","","","","1.059","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4126297","17.7583","0.0018","12.1947","0.0012","18.3067","0.0018","90","","91.115","0.002","90","","3963.7","0.7","100","","100","","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 B2 Cl F8 N5 P2 Rh -","- C38 H45 B2 Cl F8 N5 P2 Rh -","- C152 H180 B8 Cl4 F32 N20 P8 Rh4 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","Mo-Kα","","0.0517","0.0332","","","0.089","0.1114","","","","","","1.138","","","","has coordinates","296166","2024-11-29","15:16:35",""
"4126308","24.8124","0.0004","24.8124","0.0004","47.889","0.0016","90","","90","","90","","29483.1","1.2","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C260 H180 As8 F48 Fe4 N28 -","- C260 H174 As6.2 F36.4 Fe4 N28 -","- C1040 H696 As24.8 F145.6 Fe16 N112 -","4","","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1463","0.1212","","","0.3341","0.3575","","","","","","1.125","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126321","12.281","0.0006","20.641","0.001","21.993","0.001","90","","90","","90","","5575.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Keinan-70","","","- C44 H62 Cl2 N32 O16 -","- C44 H62 Cl2 N32 O16 -","- C176 H248 Cl8 N128 O64 -","4","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0435","0.0389","","","0.1081","0.1112","","","","","","1.059","","","","has coordinates","199522","2020-10-21","18:00:00",""
"4126322","11.2513","0.0009","15.1785","0.0012","46.44","0.004","90","","96.374","0.004","90","","7881.9","1.1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Br2 Fe N2 P4 -","- C44 H46 Br2 Fe N2 P4 -","- C352 H368 Br16 Fe8 N16 P32 -","8","2","","Prokopchuk, Demyan E.; Wiedner, Eric S.; Walter, Eric D.; Popescu, Codrina V.; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Catalytic N2 Reduction to Silylamines and Thermodynamics of N2 Binding at Square Planar Fe.","Journal of the American Chemical Society","2017","139","27","9291","9301","10.1021/jacs.7b04552","","","0.71073","MoKα","","0.0863","0.0778","","","0.2221","0.2297","","","","","","1.057","","","","has coordinates","199523","2020-10-21","18:00:00",""
"4126323","20.499","0.008","22.937","0.007","23.325","0.01","74.83","0.02","83.7","0.04","80.25","0.05","10407","7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H184 N12 Ni3 O2 -","- C174 H184 N12 Ni3 O2 -","- C348 H368 N24 Ni6 O4 -","2","1","","Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro","Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.","Journal of the American Chemical Society","2017","139","26","9075","9088","10.1021/jacs.7b05332","","","1.54187","CuKα","","0.158","0.0994","","","0.2642","0.2898","","","","","","1.06","","","","has coordinates","199524","2020-10-21","18:00:00",""
"4126324","5.7041","0.0007","7.4617","0.0009","35.703","0.005","90","","90","","90","","1519.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","van der Mei, Farid W.; Qin, Changming; Morrison, Ryan J.; Hoveyda, Amir H.","Practical, Broadly Applicable, α-Selective, Z-Selective, Diastereoselective, and Enantioselective Addition of Allylboron Compounds to Mono-, Di-, Tri-, and Polyfluoroalkyl Ketones.","Journal of the American Chemical Society","2017","139","26","9053","9065","10.1021/jacs.7b05011","","","0.71073","MoKα","","0.0434","0.0389","","","0.0901","0.0918","","","","","","1.113","","","","has coordinates","199525","2020-10-21","18:00:00",""
"4126325","18.508","0.003","29.695","0.005","18.979","0.004","90","","100.017","0.015","90","","10272","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H130 Co3 N6 Na6 O18 -","- C102 H130 Co3 N6 Na6 O18 -","- C408 H520 Co12 N24 Na24 O72 -","4","0.5","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1759","0.0852","","","0.1666","0.2108","","","","","","1.083","","","","has coordinates","199526","2020-10-21","18:00:00",""
"4126326","42.558","0.006","7.4566","0.001","15.434","0.002","90","","99.516","0.003","90","","4830.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C248 H192 N16 O8 -","8","1","","Zhang, Wen; Chen, Pinhong; Liu, Guosheng","Copper-Catalyzed Arylation of Benzylic C-H bonds with Alkylarenes as the Limiting Reagents.","Journal of the American Chemical Society","2017","139","23","7709","7712","10.1021/jacs.7b03781","","","0.71073","MoKα","","0.0754","0.0528","","","0.1356","0.1494","","","","","","1.034","","","","has coordinates","199527","2020-10-21","18:00:00",""
"4126355","27.279","0.0008","27.279","0.0008","84.656","0.005","90","","90","","120","","54556","4","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C408 H384 Cl18 N72 Nd8 O120 -","- C408 H384 Cl18 N72 Nd8 O120 -","- C1224 H1152 Cl54 N216 Nd24 O360 -","3","0.166667","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","x-ray","1.54184","CuKα","","0.2032","0.114","","","0.3177","0.4103","","","","","","0.97","","","","has coordinates","200234","2020-10-21","18:00:00",""
"4126356","14.414","0.0005","5.522","0.0002","28.116","0.0014","90","","113.245","0.0014","90","","2056.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek108 (Fa-Guang)","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhang, Fa-Guang; Marek, Ilan","Brook Rearrangement as Trigger for Carbene Generation: Synthesis of Stereodefined and Fully Substituted Cyclobutenes.","Journal of the American Chemical Society","2017","139","24","8364","8370","10.1021/jacs.7b04255","","","0.71073","MoKα","","0.141","0.1236","","","0.3569","0.3688","","","","","","1.151","","","","has coordinates","200235","2020-10-21","18:00:00",""
"4126357","19.4525","0.0006","19.4525","0.0006","11.7848","0.0002","90","","90","","120","","3861.92","0.18","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C126 H138 Cl12 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0533","0.0478","","","0.1121","0.1156","","","","","","1.021","","","","has coordinates","200236","2020-10-21","18:00:00",""
"4126358","11.3109","0.0002","16.8486","0.0003","21.942","0.0004","90","","90","","90","","4181.55","0.13","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl N3 O3 -","- C21 H30 Cl N3 O3 -","- C168 H240 Cl8 N24 O24 -","8","2","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0759","0.0661","","","0.1236","0.1309","","","","","","1.067","","","","has coordinates","200237","2020-10-21","18:00:00",""
"4126359","14.5285","0.0004","14.8368","0.0004","14.9997","0.0005","100.432","0.003","104.367","0.003","92.736","0.002","3065.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 Fe N10 O8 -","- C62 H80 B2 Fe N10 O8 -","- C124 H160 B4 Fe2 N20 O16 -","2","1","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","x-ray","1.54184","CuKα","","0.063","0.0528","","","0.1353","0.1458","","","","","","1.023","","","","has coordinates,has disorder","200238","2020-10-21","18:00:00",""
"4126360","29.342","0.003","31.461","0.003","42.629","0.002","88.248","0.006","70.021","0.007","69.405","0.008","34440","6","140","0.1","140","2","","","","","","","","10","P -1","-P 1","2","","","","- C510 H582 B8 F30 Fe4 N42 O54 P16 Pt8 S10 -","- C509.6 H581 B8 F28.8 Fe4 N42 O52.8 P16 Pt8 S9.6 -","- C1019.2 H1162 B16 F57.6 Fe8 N84 O105.6 P32 Pt16 S19.2 -","2","1","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","","1.54178","CuKα","","0.1684","0.123","","","0.3154","0.3573","","","","","","1.139","","","","has coordinates","200239","2020-10-21","18:00:00",""
"4126361","47.92","0.01","47.92","0.01","37.29","0.01","90","","90","","90","","85630","3","100","2","100","2","","","","","","","","10","P 42 n m","P 4n -2n","102","","","","- C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C1720 H1648 B32 F192 Fe16 N160 O288 P64 Pt32 S64 -","4","0.5","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","","0.6971","","","0.1189","0.0948","","","0.2387","0.2617","","","","","","1.057","","","","has coordinates","200240","2020-10-21","18:00:00",""
"4126362","22.9158","0.0003","23.8401","0.0003","34.0163","0.0004","69.7864","0.0011","70.5451","0.0011","88.877","0.0009","16347.3","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C144 H142 B4 N21 O18 Zn4 -","- C144 H142 B4 N21 O18 Zn4 -","- C576 H568 B16 N84 O72 Zn16 -","4","2","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","x-ray","1.54184","CuKα","","0.0654","0.057","","","0.1563","0.1636","","","","","","1.038","","","","has coordinates,has disorder","200241","2020-10-21","18:00:00",""
"4126363","39.819","0.005","39.819","0.005","39.819","0.005","90","","90","","90","","63135","14","243","2","243","2","","","","","","","","5","P n -3 n","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600 H660 N54 O24 Zn6 -","- C1200 H1320 N108 O48 Zn12 -","2","","","Benke, Bahiru Punja; Aich, Pulakesh; Kim, Younghoon; Kim, Kyung Lock; Rohman, Md Rumum; Hong, Soonsang; Hwang, In-Chul; Lee, Eun Hui; Roh, Joon Ho; Kim, Kimoon","Iodide-Selective Synthetic Ion Channels Based on Shape-Persistent Organic Cages.","Journal of the American Chemical Society","2017","139","22","7432","7435","10.1021/jacs.7b02708","","","0.9","synchrotron","","0.1784","0.14","","","0.3715","0.4396","","","","","","1.548","","","","has coordinates,has disorder","200242","2020-10-21","18:00:00",""
"4126364","19.8599","0.0003","19.8599","0.0003","19.8599","0.0003","90","","90","","90","","7833.1","0.2","20","2","20","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Tri(3,5-di-tert-butylphenyl)methane","","- C43 H64 -","- C43 H64 -","- C344 H512 -","8","0.666667","","Rösel, Sören; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Cañadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan; Schreiner, Peter R.","London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact.","Journal of the American Chemical Society","2017","139","22","7428","7431","10.1021/jacs.7b01879","","","1.1702","neutron","","0.0323","0.031","","","0.0659","0.0666","","","","","","1.144","","","","has coordinates","200243","2020-10-21","18:00:00",""
"4126365","7.6083","0.0002","24.5638","0.0006","14.4862","0.0004","90","","102.522","0.001","90","","2642.91","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Me2NNF6]Cu-C6F5","","- C27 H19 Cu F11 N2 -","- C27 H19 Cu F11 N2 -","- C108 H76 Cu4 F44 N8 -","4","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0388","0.0281","","","0.0744","0.0778","","","","","","1.067","","","","has coordinates","200244","2020-10-21","18:00:00",""
"4126366","5.96113","0.00009","18.7722","0.0003","14.4957","0.0002","90","","100.51","0.0008","90","","1594.9","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Qian, Hai; Pramanik, Susnata; Aprahamian, Ivan","Photochromic Hydrazone Switches with Extremely Long Thermal Half-Lives.","Journal of the American Chemical Society","2017","139","27","9140","9143","10.1021/jacs.7b04993","","","1.54178","CuKα","","0.0436","0.0357","","","0.0894","0.0951","","","","","","1.032","","","","has coordinates","200245","2020-10-21","18:00:00",""
"4126367","9.9152","0.0012","11.9825","0.0014","14.1511","0.0017","92.263","0.003","107.127","0.003","91.127","0.003","1604.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H47 Ir P2 -","- C36 H47 Ir P2 -","- C72 H94 Ir2 P4 -","2","1","","Wilklow-Marnell, Miles; Li, Bo; Zhou, Tian; Krogh-Jespersen, Karsten; Brennessel, William W.; Emge, Thomas J.; Goldman, Alan S.; Jones, William D.","Catalytic Dehydrogenative C-C Coupling by a Pincer-Ligated Iridium Complex.","Journal of the American Chemical Society","2017","139","26","8977","8989","10.1021/jacs.7b03433","","","0.71073","MoKα","","0.074","0.0612","","","0.1449","0.1516","","","","","","1.039","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4126368","6.0729","0.0003","8.3117","0.0005","30.5846","0.0017","90","","90","","90","","1543.79","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54178","CuKα","","0.0323","0.032","","","0.0833","0.0835","","","","","","1.085","","","","has coordinates","200247","2020-10-21","18:00:00",""
"4126369","9.011","0.0009","10.8873","0.0011","17.883","0.002","98.641","0.008","90.004","0.008","112.949","0.007","1593.9","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 B F2 N6 O3 -","- C32.8 H39.8 B F2 N6 O3 -","- C65.6 H79.6 B2 F4 N12 O6 -","2","1","","Wang, Zhijia; Zhao, Jianzhang; Barbon, Antonio; Toffoletti, Antonio; Liu, Yan; An, Yonglin; Xu, Liang; Karatay, Ahmet; Yaglioglu, Halime Gul; Yildiz, Elif Akhüseyin; Hayvali, Mustafa","Radical-Enhanced Intersystem Crossing in New Bodipy Derivatives and Application for Efficient Triplet-Triplet Annihilation Upconversion.","Journal of the American Chemical Society","2017","139","23","7831","7842","10.1021/jacs.7b02063","","","0.71073","MoKα","","0.1389","0.0755","","","0.2102","0.246","","","","","","1.001","","","","has coordinates","200248","2020-10-21","18:00:00",""
"4126370","10.092","0.004","19.277","0.008","15.171","0.006","90","","90","","90","","2951","2","100","2","100","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H16 F6 N4 O6 S2 Si Zn -","- C20 H16 F6 N4 O6 S2 Si Zn -","- C80 H64 F24 N16 O24 S8 Si4 Zn4 -","4","0.25","","Lin, Rui-Biao; Li, Libo; Wu, Hui; Arman, Hadi; Li, Bin; Lin, Rong-Guang; Zhou, Wei; Chen, Banglin","Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material.","Journal of the American Chemical Society","2017","139","23","8022","8028","10.1021/jacs.7b03850","","","0.71073","MoKα","","0.0969","0.0891","","","0.2062","0.2116","","","","","","1.167","","","","has coordinates,has disorder","200249","2020-10-21","18:00:00",""
"4126371","30.22","0.002","30.22","0.002","34.323","0.006","90","","90","","90","","31345","6","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H20 Cu9 N20 O24 Zn6 -","- C40 H20 Cu9 N20 O24 Zn6 -","- C320 H160 Cu72 N160 O192 Zn48 -","8","0.5","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1107","0.0881","","","0.2128","0.2247","","","","","","1.468","","","","has coordinates","200250","2020-10-21","18:00:00",""
"4126372","27.499","0.005","14.9307","0.0027","16.565","0.004","90","","110.55","0.012","90","","6368","2","297","","297","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24.19 H16 Cu D2.92 F6 N4 O6 S2 -","- C24.196 H16 Cu D2.928 F6 N4 O6 S2 -","- C193.568 H128 Cu8 D23.424 F48 N32 O48 S16 -","8","1","","Li, Libo; Lin, Rui-Biao; Krishna, Rajamani; Wang, Xiaoqing; Li, Bin; Wu, Hui; Li, Jinping; Zhou, Wei; Chen, Banglin","Flexible-Robust Metal-Organic Framework for Efficient Removal of Propyne from Propylene.","Journal of the American Chemical Society","2017","139","23","7733","7736","10.1021/jacs.7b04268","powder diffraction","neutron","2.0775","","","","","","","","","0.22463","","1.25","","","","","","","has coordinates","200251","2020-10-21","18:00:00",""
"4131212","36.907","0.004","19.699","0.002","20.897","0.002","90","","117.035","0.001","90","","13533","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H108 Si13 -","- C52 H108 Si13 -","- C416 H864 Si104 -","8","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0345","0.0297","","","0.0805","0.0879","","","","","","1.056","","","","has coordinates,has disorder","241476","2020-10-21","18:00:00",""
"4131213","9.7545","0.0017","24.247","0.004","16.831","0.003","90","","96.034","0.002","90","","3958.8","1.2","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H114 Si14 -","- C54 H114 Si14 -","- C108 H228 Si28 -","2","0.5","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0805","0.0672","","","0.1797","0.1867","","","","","","1.064","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131214","11.439","0.0012","11.5269","0.0012","16.3097","0.0017","76.425","0.001","84.285","0.001","61.813","0.001","1842.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H60 Si7 -","- C28 H60 Si7 -","- C56 H120 Si14 -","2","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0284","0.0268","","","0.0712","0.0728","","","","","","1.04","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131215","14.701","0.002","15.065","0.002","22.31","0.003","90","","105.87","0.002","90","","4752.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H76 K O5 Si6 -","- C35 H76 K O5 Si6 -","- C140 H304 K4 O20 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0385","0.0296","","","0.0725","0.0788","","","","","","1.049","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131216","20.2103","0.0014","8.9161","0.0006","20.7174","0.0014","90","","99.885","0.002","90","","3677.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 Cl3 Si6 -","- C25 H51 Cl3 Si6 -","- C100 H204 Cl12 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0389","0.0299","","","0.073","0.076","","","","","","1.051","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131217","15.8812","0.0008","19.5634","0.001","22.8793","0.0012","90","","90","","90","","7108.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85.24 H72.7 Cl4.76 Ir N2 O6.74 P2 -","- C85.235 H72.705 Cl4.765 Ir N2 O6.745 P2 -","- C340.94 H290.82 Cl19.06 Ir4 N8 O26.98 P8 -","4","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0292","0.027","","","0.0589","0.0596","","","","","","1.058","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131218","11.1166","0.0006","22.3594","0.0011","15.6267","0.0009","90","","91.739","0.002","90","","3882.4","0.4","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82.15 H62.62 Cl9.53 Ir N2 O5.58 P2 -","- C82.1576 H62.631 Cl9.526 Ir N2 O5.5789 P2 -","- C164.315 H125.262 Cl19.052 Ir2 N4 O11.1578 P4 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0389","0.0351","","","0.0881","0.0897","","","","","","1.016","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131219","15.7403","0.0019","17.473","0.002","18.238","0.002","91.892","0.003","108.143","0.003","115.526","0.002","4218.8","0.9","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C83 H57 Cl16 F3 Ir N3 O9 P2 S -","- C83 H57 Cl16 F3 Ir N3 O9 P2 S -","- C166 H114 Cl32 F6 Ir2 N6 O18 P4 S2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","","0.71073","MoKα","","0.0514","0.0397","","","0.0886","0.0945","","","","","","1.043","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131220","15.3515","0.0018","21.677","0.003","8.8389","0.0009","90","","90","","90","","2941.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C68 H44 Cl Ir N2 O4 P2 -","- C68 H44 Cl Ir N2 O4 P2 -","- C136 H88 Cl2 Ir2 N4 O8 P4 -","2","0.5","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0258","0.0246","","","0.068","0.0686","","","","","","1.104","","","","has coordinates","241477","2020-10-21","18:00:00",""
"4131221","32.9074","0.0006","32.9074","0.0006","17.7716","0.0004","90","","90","","120","","16666.5","0.6","100","0.2","100","0.2","","","","","","","","7","P 32","P 32","145","","","","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C672 H492 Cl117 Ir9 N18 O60 P18 -","3","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54178","CuKα","","0.062","0.0579","","","0.1523","0.1558","","","","","","1.202","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131222","12.0233","0.0001","7.5855","0.0001","13.9981","0.0001","90","","96.03","0.001","90","","1269.6","0.02","173.2","0.1","173.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H22 N O2 P -","- C34 H22 N O2 P -","- C68 H44 N2 O4 P2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0627","0.063","","","","","","1.035","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131223","27.1225","0.0006","17.0996","0.0005","17.6908","0.0004","90","","106.759","0.001","90","","7856.2","0.3","173","2","173","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","Th@C82/NiOEP/1.5bz/CS2","","","- C128 H53 I0 N4 Ni O0 S2 Th -","- C128 H53 N4 Ni S2 Th0.9472 -","- C512 H212 N16 Ni4 S8 Th3.7888 -","4","0.5","","Wang, Yaofeng; Morales-Martínez, Roser; Zhang, Xingxing; Yang, Wei; Wang, Yaxing; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Feng, Lai; Wang, Shuao; Chen, Ning","Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C<sub>82</sub> Fullerene Cage: Complete Structural Characterization of Th@C<sub>3v</sub>(8)-C<sub>82</sub>.","Journal of the American Chemical Society","2017","139","14","5110","5116","10.1021/jacs.6b13383","","","1.54178","CuKα","","0.0507","0.0479","","","0.13","0.1332","","","","","","1.035","","","","has coordinates,has disorder","241478","2020-10-21","18:00:00",""
"4131224","11.429","0.002","25.345","0.005","18.453","0.003","90","","93.369","0.002","90","","5336","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOH","","","- C47 H76 Cu N4 O4 -","- C47 H76 Cu N4 O4 -","- C188 H304 Cu4 N16 O16 -","4","1","","Spaeth, Andrew D.; Gagnon, Nicole L.; Dhar, Debanjan; Yee, Gereon M.; Tolman, William B.","Determination of the Cu(III)-OH Bond Distance by Resonance Raman Spectroscopy Using a Normalized Version of Badger's Rule.","Journal of the American Chemical Society","2017","139","12","4477","4485","10.1021/jacs.7b00210","","","0.71073","MoKα","","0.1024","0.0872","","","0.2013","0.2069","","","","","","1.157","","","","has coordinates,has disorder","241479","2020-10-21","18:00:00",""
"4131225","10.938","0.0003","13.7755","0.0004","24.4883","0.0007","90","","90","","90","","3689.81","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 B F4 N3 O P Pd -","- C42 H41 B F4 N3 O P Pd -","- C168 H164 B4 F16 N12 O4 P4 Pd4 -","4","1","","Guo, Chang; Janssen-Müller, Daniel; Fleige, Mirco; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Mechanistic Studies on a Cooperative NHC Organocatalysis/Palladium Catalysis System: Uncovering Significant Lessons for Mixed Chiral Pd(NHC)(PR<sub>3</sub>) Catalyst Design.","Journal of the American Chemical Society","2017","139","12","4443","4451","10.1021/jacs.7b00462","","","1.54178","CuKα","","0.048","0.0421","","","0.0917","0.0942","","","","","","1.044","","","","has coordinates,has disorder","241480","2020-10-21","18:00:00",""
"4131226","22.639","0.002","11.4146","0.0011","40.733","0.003","90","","91.374","0.003","90","","10523","1.6","93","","93","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","pillar[5]-quinone_hexane","","","- C57 H74 O10 -","- C57 H74 O10 -","- C456 H592 O80 -","8","2","","Ogoshi, Tomoki; Shimada, Yasuo; Sakata, Yoko; Akine, Shigehisa; Yamagishi, Tada-Aki","Alkane-Shape-Selective Vapochromic Behavior Based on Crystal-State Host-Guest Complexation of Pillar[5]arene Containing One Benzoquinone Unit.","Journal of the American Chemical Society","2017","139","16","5664","5667","10.1021/jacs.7b00631","","","0.71073","MoKα","","0.0918","0.0658","","","0.1586","0.1823","","","","","","1.071","","","","has coordinates,has disorder","241481","2020-10-21","18:00:00",""
"4131227","13.5835","0.0011","13.5835","0.0011","8.6796","0.0013","90","","90","","120","","1386.9","0.3","100","","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Cp2Co)(Me2NH2)[Fe2(CA)3]","","- C11 H8 Cl3 Fe N O6 -","- C10.9998 H7.9992 Cl3 Fe N0.9999 O6 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O12 -","2","0.166667","","DeGayner, Jordan A.; Jeon, Ie-Rang; Sun, Lei; Dincă, Mircea; Harris, T. David","2D Conductive Iron-Quinoid Magnets Ordering up to T<sub>c</sub> = 105 K via Heterogenous Redox Chemistry.","Journal of the American Chemical Society","2017","139","11","4175","4184","10.1021/jacs.7b00705","","","1.54178","CuKα","","0.1602","0.1222","","","0.2762","0.3189","","","","","","1.105","","","","has coordinates","241482","2020-10-21","18:00:00",""
"4131228","8.4555","0.0003","12.6145","0.0004","14.6274","0.0005","105.622","0.002","90.044","0.002","100.517","0.002","1475.26","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F3 Mn N4 O8 S2 -","- C28 H24 F3 Mn N4 O8 S2 -","- C56 H48 F6 Mn2 N8 O16 S4 -","2","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.0798","0.064","","","0.1207","0.13","","","","","","1.145","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131229","18.8866","0.0006","11.3425","0.0005","11.6682","0.0006","90","","128.13","0.002","90","","1966.2","0.16","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H15 F3 Mn N3 O6 S -","- C17 H15 F3 Mn N3 O6 S -","- C68 H60 F12 Mn4 N12 O24 S4 -","4","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.062","0.0574","","","0.1307","0.1324","","","","","","1.126","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131230","20.5502","0.0007","7.9367","0.0003","37.7229","0.0014","90","","90","","90","","6152.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H30 N4 O -","- C42 H30 N4 O -","- C336 H240 N32 O8 -","8","1","","Tsujimoto, Hiroyuki; Ha, Dong-Gwang; Markopoulos, Georgios; Chae, Hyun Sik; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer.","Journal of the American Chemical Society","2017","139","13","4894","4900","10.1021/jacs.7b00873","","","0.71073","MoKα","","0.0596","0.0465","","","0.1227","0.1327","","","","","","1.052","","","","has coordinates","241484","2020-10-21","18:00:00",""
"4131231","10.6382","0.0004","17.4039","0.0007","18.8993","0.0007","79.892","0.001","87.553","0.001","77.84","0.001","3367.5","0.2","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","Ph2PPrPDIMnH","","","- C39 H42 Mn N3 P2 -","- C39 H42 Mn N3 P2 -","- C156 H168 Mn4 N12 P8 -","4","2","","Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.","Journal of the American Chemical Society","2017","139","13","4901","4915","10.1021/jacs.7b00879","","","0.71073","MoKα","","0.0641","0.0416","","","0.0883","0.0967","","","","","","1.029","","","","has coordinates","241485","2020-10-21","18:00:00",""
"4131232","14.5008","0.0008","14.7881","0.0009","15.1141","0.0009","92.0219","0.0009","115.433","0.0008","109.457","0.0009","2698.6","0.3","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","2Ph2PPrPDIMnOCPhCF3","","","- C118 H140 F6 Mn2 N6 O8 P4 -","- C118 H140 F6 Mn2 N6 O8 P4 -","- C118 H140 F6 Mn2 N6 O8 P4 -","1","0.5","","Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.","Journal of the American Chemical Society","2017","139","13","4901","4915","10.1021/jacs.7b00879","","","0.71073","MoKα","","0.0816","0.0529","","","0.1273","0.1417","","","","","","1.027","","","","has coordinates,has disorder","241485","2020-10-21","18:00:00",""
"4131233","7.5646","0.0003","12.0747","0.0007","16.7895","0.0008","106.725","0.005","98.214","0.004","98.25","0.004","1425.78","0.13","100","1","100","1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H22 Br2 N4 O2.66 S2 -","- C28 H22 Br2 N4 O2.664 S2 -","- C56 H44 Br4 N8 O5.328 S4 -","2","1","","Woodward, Alexis N.; Kolesar, Justin M.; Hall, Sara R.; Saleh, Nemah-Allah; Jones, Daniel S.; Walter, Michael G.","Thiazolothiazole Fluorophores Exhibiting Strong Fluorescence and Viologen-Like Reversible Electrochromism.","Journal of the American Chemical Society","2017","139","25","8467","8473","10.1021/jacs.7b01005","","x-ray","0.71073","MoKα","","0.0712","0.0506","","","0.1209","0.1335","","","","","","1.027","","","","has coordinates,has disorder","241486","2020-10-21","18:00:00",""
"4131234","7.5193","0.0002","18.3049","0.0005","9.5705","0.0003","90","","107.611","0.001","90","","1255.55","0.06","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B Br F N O2 -","- C12 H12 B Br F N O2 -","- C48 H48 B4 Br4 F4 N4 O8 -","4","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.0235","0.0202","","","0.0475","0.0498","","","","","","1.053","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131235","6.5845","0.0003","7.2237","0.0003","15.3914","0.0006","82.136","0.002","79.133","0.002","89.205","0.003","712.14","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 B Br F3 N O2 -","- C13 H12 B Br F3 N O2 -","- C26 H24 B2 Br2 F6 N2 O4 -","2","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.0311","0.029","","","0.0714","0.0723","","","","","","1.056","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131236","7.5296","0.0001","17.754","0.0004","9.5971","0.0002","90","","103.537","0.001","90","","1247.3","0.04","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B Br F N O2 -","- C12 H12 B Br F N O2 -","- C48 H48 B4 Br4 F4 N4 O8 -","4","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.031","0.0246","","","0.0486","0.0514","","","","","","1.087","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131237","18.901","0.004","11.782","0.002","23.68","0.005","90","","90","","90","","5273.3","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C64 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.1366","0.0789","","","0.1415","0.1628","","","","","","1.09","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131238","17.625","0.004","11.982","0.002","18.724","0.004","90","","90.44","0.03","90","","3954.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C48 H168 Br48 N24 Pb12 -","12","3","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.0889","0.0559","","","0.1319","0.1477","","","","","","0.984","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131239","10.7169","0.0013","11.7355","0.001","12.1266","0.0012","90","","111.534","0.008","90","","1418.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Br4 N2 Pb -","- C5 H16 Br4 N2 Pb -","- C20 H64 Br16 N8 Pb4 -","4","1","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.0522","0.0354","","","0.0599","0.0641","","","","","","1.053","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131240","41.685","0.008","23.962","0.005","12","0.002","90","","90","","90","","11986","4","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C6 H18 Br4 N2 Pb -","- C6 H18 Br4 N2 Pb -","- C192 H576 Br128 N64 Pb32 -","32","4","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.125","0.0541","","","0.0919","0.1112","","","","","","0.831","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131241","12.46018","0.00013","12.46018","0.00013","19.9836","0.0003","90","","90","","120","","2686.91","0.06","180","2","180","2","","","","","","","","6","P 61","P 61","169","","","","- C3 H12 Cu3 I3 N6 S3 -","- C3 H12 Cu3 I3 N6 S3 -","- C18 H72 Cu18 I18 N36 S18 -","6","1","","Ye, Senyun; Rao, Haixia; Zhao, Ziran; Zhang, Linjuan; Bao, Hongliang; Sun, Weihai; Li, Yunlong; Gu, Feidan; Wang, Jianqiang; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A Breakthrough Efficiency of 19.9% Obtained in Inverted Perovskite Solar Cells by Using an Efficient Trap State Passivator Cu(thiourea)I.","Journal of the American Chemical Society","2017","139","22","7504","7512","10.1021/jacs.7b01439","","","0.71073","MoKα","","0.0516","0.0506","","","0.1293","0.1298","","","","","","1.122","","","","has coordinates","241490","2020-10-21","18:00:00",""
"4131242","8.96","0.0003","18.1329","0.0006","9.739","0.0003","90","","92.047","0.003","90","","1581.29","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl O2 -","- C16.5 H27 Cl O2 -","- C66 H108 Cl4 O8 -","4","2","","Hu, Pengfei; Snyder, Scott A.","Enantiospecific Total Synthesis of the Highly Strained (-)-Presilphiperfolan-8-ol via a Pd-Catalyzed Tandem Cyclization.","Journal of the American Chemical Society","2017","139","14","5007","5010","10.1021/jacs.7b01454","","","1.54178","CuKα","","0.0817","0.046","","","0.0803","0.0915","","","","","","1.004","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131243","14.8148","0.0009","17.1489","0.001","17.8927","0.001","110.132","0.004","91.24","0.004","106.843","0.004","4047.5","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C88.4 H84 Cl0.6 N9 O10 Ru -","- C88.4 H84 Cl0.6 N9 O10 Ru -","- C176.8 H168 Cl1.2 N18 O20 Ru2 -","2","1","","Kuss-Petermann, Martin; Orazietti, Margherita; Neuburger, Markus; Hamm, Peter; Wenger, Oliver S.","Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","14","5225","5232","10.1021/jacs.7b01605","","","1.5418","CuKα","","0.0998","0.0674","","0.209","0.1781","0.2088","","","","","","1.0222","","","","has coordinates,has disorder","241492","2020-10-21","18:00:00",""
"4131244","11.2322","0.0005","11.2322","0.0005","11.2322","0.0005","90","","90","","90","","1417.08","0.11","298","2","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dicesium Silver Bismuth Hexabromide","","- Ag Bi Br6 Cs2 -","- Ag Bi Br6 Cs2 -","- Ag4 Bi4 Br24 Cs8 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.6888","synchrotron","","0.0109","0.0109","","","0.0224","0.0224","","","","","","1.507","","","","has coordinates","241493","2020-10-21","18:00:00",""
"4131245","11.8941","0.0005","11.8941","0.0005","11.8941","0.0005","90","","90","","90","","1682.65","0.12","298","2","298","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C2 H12 Ag0.2 Bi Br6 N2 Tl0.8 -","- C2.0004 Ag0.199 Bi Br6 N2.0004 Tl0.8 -","- C8.0016 Ag0.796 Bi4 Br24 N8.0016 Tl3.2 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.6888","synchrotron","","0.031","0.0299","","","0.0728","0.0736","","","","","","1.2","","","","has coordinates,has disorder","241494","2020-10-21","18:00:00",""
"4131246","11.9173","0.001","11.9173","0.001","11.9173","0.001","90","","90","","90","","1692.5","0.2","296","2","296.15","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Bis(methylammonium) Thallium(I) Bismuth Hexabromide","","- C2 H12 Bi Br6 N2 Tl -","- C2.0004 Bi Br6 N2.0004 Tl -","- C8.0016 Bi4 Br24 N8.0016 Tl4 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.71073","MoKα","","0.0429","0.0383","","","0.093","0.0969","","","","","","1.219","","","","has coordinates,has disorder","241495","2020-10-21","18:00:00",""
"4131247","12.5921","0.0003","5.3064","0.0001","22.4242","0.0005","90","","99.002","0.001","90","","1479.9","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","KEP-2-091","KEP-2-091","","- C17 H16 F3 N O -","- C17 H16 F3 N O -","- C68 H64 F12 N4 O4 -","4","2","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes.","Journal of the American Chemical Society","2017","139","16","5684","5687","10.1021/jacs.7b01705","","","1.54178","CuKα","","0.0488","0.039","","","0.0826","0.0872","","","","","","1.028","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131248","9.8642","0.0007","12.484","0.0007","15.7552","0.0009","90","","98.445","0.004","90","","1919.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C92 H88 B4 N4 O8 -","4","1","","Chapin, Brette M.; Metola, Pedro; Vankayala, Sai Lakshmana; Woodcock, H. Lee; Mooibroek, Tiddo J.; Lynch, Vincent M.; Larkin, Joseph D.; Anslyn, Eric V.","Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors.","Journal of the American Chemical Society","2017","139","15","5568","5578","10.1021/jacs.7b01755","","","0.71073","MoKα","","0.0798","0.0483","","","0.1138","0.134","","","","","","1.001","","","","has coordinates","241497","2020-10-21","18:00:00",""
"4131249","17.6869","0.0007","17.5134","0.0007","17.6063","0.0006","90","","90","","90","","5453.7","0.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H62 B2 N2 -","- C72 H62 B2 N2 -","- C288 H248 B8 N8 -","4","0.5","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0882","0.0513","","","0.1321","0.1556","","","","","","1.042","","","","has coordinates","241498","2020-10-21","18:00:00",""
"4131250","8.9299","0.0008","13.6476","0.0011","21.9545","0.0018","89.957","0.003","83.601","0.003","88.427","0.003","2658","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 B2 N4 -","- C64 H60 B2 N4 -","- C128 H120 B4 N8 -","2","1","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0844","0.0562","","","0.1673","0.186","","","","","","1.03","","","","has coordinates","241499","2020-10-21","18:00:00",""
"4131251","14.414","0.005","11.965","0.005","32.171","0.005","90","0.005","101.231","0.005","90","0.005","5442","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 N4 Ni O8 S2 -","- C18 H22 Cl2 N4 Ni O8 S2 -","- C144 H176 Cl16 N32 Ni8 O64 S16 -","8","2","","Hong, Dachao; Tsukakoshi, Yuto; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Visible-Light-Driven Photocatalytic CO<sub>2</sub> Reduction by a Ni(II) Complex Bearing a Bioinspired Tetradentate Ligand for Selective CO Production.","Journal of the American Chemical Society","2017","139","19","6538","6541","10.1021/jacs.7b01956","","","0.71069","MoKα","","0.0935","0.0678","","","0.1835","0.1959","","","","","","1.053","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4131252","14.6603","0.0004","12.7003","0.0003","17.8348","0.0004","90","","94.2177","0.0011","90","","3311.67","0.14","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl3 P2 Pd Sb -","- C36 H28 Cl3 P2 Pd Sb -","- C144 H112 Cl12 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0389","0.0272","","","0.0568","0.0622","","","","","","1.095","","","","has coordinates","241501","2020-10-21","18:00:00",""
"4131253","13.1833","0.0005","14.0387","0.0005","18.8114","0.0007","90","","90","","90","","3481.5","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl5 P2 Pd Sb -","- C36 H28 Cl5 P2 Pd Sb -","- C144 H112 Cl20 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0484","0.0367","","","0.0742","0.0792","","","","","","1.08","","","","has coordinates","241502","2020-10-21","18:00:00",""
"4131254","12.6573","0.0004","13.9154","0.0003","16.418","0.0003","89.5764","0.0014","84.6591","0.0017","83.2243","0.0019","2859.04","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.32 H68 B F15 Fe N2 P4 -","- C55.323 H68 B F15 Fe N2 P4 -","- C110.646 H136 B2 F30 Fe2 N4 P8 -","2","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1592","0.161","","","","","","1.045","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131255","24.2958","0.00009","12.25554","0.00004","27.26129","0.0001","90","","90","","90","","8117.27","0.05","80","","80","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C76 H66 B2 F40 Fe N2 P4 -","- C75.9999 H65.9995 B2 F40 Fe N2 P4 -","- C304 H263.998 B8 F160 Fe4 N8 P16 -","4","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0754","0.0753","","","0.1947","0.1949","","","","","","1.079","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131256","26.3521","0.0003","22.42897","0.00019","35.7607","0.0003","90","","90.7535","0.0008","90","","21134.6","0.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65.43 H86.4 B1.6 F19.6 Fe1.6 N6.4 P3.2 -","- C65.4328 H86.4 B1.6 F19.6 Fe1.6 N6.4 P3.2 -","- C654.328 H864 B16 F196 Fe16 N64 P32 -","10","2.5","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","","1.54184","CuKα","","0.0965","0.0855","","","0.231","0.2421","","","","","","1.015","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131257","15.0213","0.001","25.1312","0.0012","28.3846","0.0014","114.492","0.005","98.338","0.005","92.257","0.005","9588.9","1","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C108.9 H90 Cu6 F3.3 O2.71 P6.1 S0.9 -","- C108.901 H90 Cu6 F3.297 O2.703 P6.099 S0.901 -","- C435.604 H360 Cu24 F13.188 O10.812 P24.396 S3.604 -","4","2","","Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W.","Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>.","Journal of the American Chemical Society","2017","139","23","7685","7688","10.1021/jacs.7b02183","","x-ray","1.54184","CuKα","","0.2022","0.0983","","","0.2187","0.2908","","","","","","0.999","","","","has coordinates,has disorder","241504","2020-10-21","18:00:00",""
"4131258","18.193","0.004","16.401","0.003","46.871","0.009","90","","92.094","0.003","90","","13976","5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C166 H143 B Cu7 F20 O4 P7 -","- C150 H111 B Cu7 F20 P7 -","- C600 H444 B4 Cu28 F80 P28 -","4","1","","Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W.","Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>.","Journal of the American Chemical Society","2017","139","23","7685","7688","10.1021/jacs.7b02183","","","0.71073","MoKα","","0.1349","0.0593","","","0.0997","0.1139","","","","","","1.002","","","","has coordinates","241505","2020-10-21","18:00:00",""
"4131259","14.1168","0.001","15.7553","0.0011","17.7494","0.0013","90","","108.704","0.001","90","","3739.2","0.5","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Sn2 -","- C76 H108 Sn2 -","- C152 H216 Sn4 -","2","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0348","0.0287","","","0.0665","0.0694","","","","","","1.039","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131260","42.812","0.005","12.9077","0.0014","27.383","0.003","90","","104.88","0.002","90","","14625","3","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 Sn2 -","- C76 H108 Sn2 -","- C608 H864 Sn16 -","8","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.1492","0.0625","","","0.1444","0.164","","","","","","1.022","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131261","24.2225","0.0014","11.8023","0.0007","23.2736","0.0014","90","","117.075","0.001","90","","5924.3","0.6","90","2","90.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 Sn2 -","- C67 H86 Sn2 -","- C268 H344 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0469","0.0311","","","0.0803","0.1013","","","","","","1.041","","","","has coordinates","241506","2020-10-21","18:00:00",""
"4131262","10.9056","0.0011","13.3212","0.0013","13.5201","0.0014","109.129","0.0013","100.475","0.0014","92.3398","0.0015","1814.1","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H112 Sn2 -","- C84 H112 Sn2 -","- C84 H112 Sn2 -","1","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.07","0.055","","","0.1122","0.1166","","","","","","1.223","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131263","24.8482","0.0003","13.0549","0.0001","30.6387","0.0003","90","","111.726","0.001","90","","9232.9","0.17","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C105 H148 Sn2 -","- C105 H148 Sn2 -","- C420 H592 Sn8 -","4","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.065","0.0431","","","0.0745","0.0799","","","","","","1.035","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131264","12.2343","0.0004","12.3376","0.0004","13.1415","0.0004","92.9593","0.0012","92.3314","0.0012","108.371","0.0012","1876.6","0.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H116 Sn2 -","- C86 H116 Sn2 -","- C86 H116 Sn2 -","1","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","1.54178","CuKα","","0.0533","0.0506","","","0.1339","0.1359","","","","","","1.035","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131265","11.9437","0.0007","16.5134","0.001","20.8121","0.0013","84.9379","0.0009","88.9163","0.0009","88.8673","0.0009","4087.4","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[(Ar*)(3,3-dimethylbutyl)(H/OH)Sn-Sn(Ar*).2toluene Ar* = C6H3-2,6(2,4,6-i-Pr3C6H3)2","","","- C92 H127.77 O0.23 Sn2 -","- C92 H127.769 O0.2308 Sn2 -","- C184 H255.538 O0.4616 Sn4 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0631","0.0424","","","0.0976","0.1089","","","","","","1.038","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131266","13.467","0.0011","13.5435","0.0011","20.6086","0.0016","100.981","0.001","107.806","0.001","96.11","0.001","3458.3","0.5","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H104 Sn2 -","- C80 H104 Sn2 -","- C160 H208 Sn4 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0578","0.0441","","","0.1208","0.1268","","","","","","1.03","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131267","16.9165","0.001","14.5926","0.0008","24.5953","0.0013","90","","95.711","0.002","90","","6041.4","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3)2Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3).toluene","","","- C69 H88 Sn2 -","- C69 H88 Sn2 -","- C276 H352 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0445","0.0373","","","0.0912","0.096","","","","","","1.02","","","","has coordinates","241506","2020-10-21","18:00:00",""
"4131268","14.6287","0.0007","18.6066","0.0008","20.5602","0.0007","82.347","0.003","87.749","0.003","88.425","0.004","5540.8","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H134 N19 O16.5 S2 -","- C89 H143 N19 O16.5 S2 -","- C178 H286 N38 O33 S4 -","2","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71073","MoKα","","0.1672","0.1084","","","0.2912","0.3339","","","","","","1.033","","","","has coordinates,has disorder","241507","2020-10-21","18:00:00",""
"4131269","22.803","0.003","25.336","0.003","20.96","0.003","90","","95.773","0.003","90","","12048","3","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H155 N19 O15 P2 -","- C114 H180 N19 O15 P2 -","- C456 H720 N76 O60 P8 -","4","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71075","MoKα","","0.296","0.1384","","","0.2848","0.3686","","","","","","1.039","","","","has coordinates,has disorder","241508","2020-10-21","18:00:00",""
"4131270","15.0606","0.0006","18.5209","0.0007","20.3176","0.001","90","","96.226","0.004","90","","5633.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H134 N18 O28 P4 -","- C97.78 H133.84 N18 O27.626 P4 -","- C195.56 H267.68 N36 O55.252 P8 -","2","0.5","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","x-ray","1.54184","CuKα","","0.1753","0.1393","","","0.3719","0.4136","","","","","","1.379","","","","has coordinates,has disorder","241509","2020-10-21","18:00:00",""
"4131271","38.954","0.005","6.9664","0.0009","24.402","0.003","90","","97.187","0.003","90","","6569.9","1.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H0 Cl0.12 N6 O2 -","- C33 H43 N7 O4 -","- C264 H344 N56 O32 -","8","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71075","MoKα","","0.1803","0.1138","","","0.2852","0.3306","","","","","","1.059","","","","has coordinates","241510","2020-10-21","18:00:00",""
"4131272","10.2141","0.0005","13.2874","0.0008","29.0597","0.0013","90","","92.361","0.004","90","","3940.6","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86.12 H104.18 N20.06 O4.49 -","- C86.12 H104.18 N20.06 O4.49 -","- C172.24 H208.36 N40.12 O8.98 -","2","0.5","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71073","MoKα","","0.1623","0.0989","","","0.2376","0.2795","","","","","","1.052","","","","has coordinates,has disorder","241511","2020-10-21","18:00:00",""
"4131273","15.9914","0.0009","17.7499","0.0007","16.3249","0.0008","90","","111.526","0.006","90","","4310.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Al2 Cl6 N3 O P2 -","- C43 H29 Al2 Cl6 N3 O P2 -","- C172 H116 Al8 Cl24 N12 O4 P8 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1553","0.1041","","","0.2686","0.317","","","","","","1.022","","","","has coordinates,has disorder","241512","2020-10-21","18:00:00",""
"4131274","16.2505","0.0006","18.0456","0.0006","16.419","0.0008","90","","106.315","0.005","90","","4621","0.3","123","2","123","2","","","","","","","","7","P 1 a 1","P -2ya","7","","","","- C45 H41 Cl6 Ga2 N3 O1.5 P2 -","- C45 H41 Cl6 Ga2 N3 O1.5 P2 -","- C180 H164 Cl24 Ga8 N12 O6 P8 -","4","2","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1076","0.0629","","","0.1285","0.1484","","","","","","1.038","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131275","10.6347","0.0004","15.1587","0.0005","16.3064","0.0009","116.078","0.004","107.927","0.004","91.446","0.003","2206.5","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl6 In2 N3 O P2 -","- C43 H37 Cl6 In2 N3 O P2 -","- C86 H74 Cl12 In4 N6 O2 P4 -","2","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1014","0.0623","","","0.1427","0.1654","","","","","","1.033","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131276","23.6164","0.0003","22.668","0.0003","36.3526","0.0004","90","","104.873","0.0012","90","","18808.9","0.4","123","2","123","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C39 H29 Al Cl3 N3 P2 Pd -","- C39 H29 Al Cl3 N3 P2 Pd -","- C624 H464 Al16 Cl48 N48 P32 Pd16 -","16","4","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0715","0.0454","","","0.1071","0.1174","","","","","","1.039","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131277","15.6604","0.0007","15.4147","0.0007","17.6596","0.0007","90","","100.425","0.004","90","","4192.7","0.3","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C168 H144 Cl12 Ga4 N16 O4 P8 Pd4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0874","0.0509","","","0.1292","0.1536","","","","","","1.083","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131278","15.37","0.0003","18.6633","0.0004","17.1449","0.0003","90","","105.464","0.002","90","","4740.05","0.17","123","2","123","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C180 H188 Cl12 In4 N12 O12 P8 Pd4 S12 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.064","0.0469","","","0.1421","0.154","","","","","","1.09","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131279","8.2927","0.0009","20.973","0.002","22.4","0.003","68.639","0.008","81.11","0.008","85.463","0.008","3583.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H96 F72 N12 O0 P12 -","- C114 H96 F72 N12 P12 -","- C114 H96 F72 N12 P12 -","1","0.5","","Das, Gobinda; Skorjanc, Tina; Sharma, Sudhir Kumar; Gándara, Felipe; Lusi, Matteo; Shankar Rao, D. S.; Vimala, Sridurai; Krishna Prasad, Subbarao; Raya, Jesus; Han, Dong Suk; Jagannathan, Ramesh; Olsen, John-Carl; Trabolsi, Ali","Viologen-Based Conjugated Covalent Organic Networks via Zincke Reaction.","Journal of the American Chemical Society","2017","139","28","9558","9565","10.1021/jacs.7b02836","","","1.54178","CuKα","","0.1552","0.1032","","","0.2822","0.312","","","","","","1.075","","","","has coordinates","241513","2020-10-21","18:00:00",""
"4131280","12.3678","0.0018","13.938","0.002","36.575","0.006","90","","93.498","0.007","90","","6293.1","1.6","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C224 H404 Al4 Co4 Li4 N16 O24 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0817","0.0624","","","0.1445","0.1543","","","","","","1.07","","","","has coordinates","241514","2020-10-21","18:00:00",""
"4131281","15.7589","0.0011","16.9042","0.0014","21.5439","0.0017","83.33","0.003","85.737","0.002","87.113","0.003","5679.5","0.8","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H180 Co2 Ga2 Li2 N8 O8 P6 -","- C110 H180 Co2 Ga2 Li2 N8 O8 P6 -","- C220 H360 Co4 Ga4 Li4 N16 O16 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.1186","0.0529","","","0.1101","0.1427","","","","","","1.111","","","","has coordinates,has disorder","241514","2020-10-21","18:00:00",""
"4131282","11.409","0.002","12.13","0.002","23.099","0.004","98.56","0.008","90.383","0.01","103.728","0.01","3067.8","0.9","127","2","127","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H94.9 Co In Li N4 O4 P3 -","- C58 H94.9 Co In Li N4 O4 P3 -","- C116 H189.8 Co2 In2 Li2 N8 O8 P6 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0786","0.0496","","","0.1052","0.1215","","","","","","1.043","","","","has coordinates,has disorder","241514","2020-10-21","18:00:00",""
"4131283","35.3839","0.0004","11.1376","0.0002","51.7427","0.0009","90","","95.806","0.001","90","","20286.8","0.6","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C95.25 H104.25 B0 Cl8.75 N8 Ni2 O4 Zn -","- C95.25 H100.5 Cl8.75 N8 Ni2.1 O4.1 Zn -","- C762 H804 Cl70 N64 Ni16.8 O32.8 Zn8 -","8","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","x-ray","0.66825","synchrotron","","0.1181","0.0863","","","0.2576","0.2893","","","","","","1.027","","","","has coordinates,has disorder","241515","2020-10-21","18:00:00",""
"4131284","41.7129","0.0008","7.0905","0.0001","17.3156","0.0003","90","","90","","90","","5121.35","0.15","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C54 H56 Br Cl2 N5 Ni O2 -","- C53 H54 Br N5 Ni O2 -","- C212 H216 Br4 N20 Ni4 O8 -","4","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","","1.54183","CuKα","","0.0519","0.0491","","","0.135","0.1373","","","","","","1.057","","","","has coordinates","241516","2020-10-21","18:00:00",""
"4131285","24.623","0.002","15.4246","0.0014","15.0059","0.0014","90","","119.147","0.003","90","","4977.6","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 O -","- C34 H30 O -","- C272 H240 O8 -","8","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.0728","0.0488","","","0.1144","0.1285","","","","","","1.023","","","","has coordinates","241517","2020-10-21","18:00:00",""
"4131286","7.424","0.0008","32.859","0.004","7.7501","0.0009","90","","103.934","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1548","0.1125","","","0.2623","0.2799","","","","","","1.543","","","","has coordinates,has disorder","241518","2020-10-21","18:00:00",""
"4131287","22.2327","0.0012","5.5071","0.0004","38.99","0.002","90","","91.34","0.002","90","","4772.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O -","- C33 H28 O -","- C264 H224 O8 -","8","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1011","0.0568","","","0.1127","0.1266","","","","","","1.054","","","","has coordinates","241519","2020-10-21","18:00:00",""
"4131288","15.0649","0.0008","9.9259","0.0006","16.1346","0.0008","90","","94.4899","0.0018","90","","2405.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O -","- C33 H28 O -","- C132 H112 O4 -","4","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.0594","0.0435","","","0.1054","0.1152","","","","","","1.047","","","","has coordinates","241520","2020-10-21","18:00:00",""
"4131289","7.3559","0.0003","8.7429","0.0003","10.5801","0.0004","88.022","0.003","86.294","0.003","75.705","0.003","657.86","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H19 Br -","- C16 H19 Br -","- C32 H38 Br2 -","2","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.7107","MoKα","","0.0509","0.0436","","","0.1145","0.1176","","","","","","1.058","","","","has coordinates","241521","2020-10-21","18:00:00",""
"4131290","8.04752","0.00015","8.79412","0.00014","15.1588","0.0003","90","","97.0754","0.0017","90","","1064.63","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 I N2 O2 -","- C25 H23 I N2 O2 -","- C50 H46 I2 N4 O4 -","2","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0359","0.0351","","","0.0904","0.0915","","","","","","1.056","","","","has coordinates","241522","2020-10-21","18:00:00",""
"4131291","10.2122","0.0008","10.304","0.001","10.7741","0.0012","70.18","0.012","62.36","0.01","86.86","0.015","937.7","0.2","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0612","0.0583","","","0.1276","0.1321","","","","","","1.147","","","","has coordinates","241523","2020-10-21","18:00:00",""
"4131292","8.3434","0.001","9.7391","0.0011","24.416","0.002","90","","90","","90","","1984","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","0.71075","MoKα","","0.0384","0.0322","","","0.0746","0.0768","","","","","","1.034","","","","has coordinates","241524","2020-10-21","18:00:00",""
"4131293","10.286","0.003","10.706","0.002","11.1417","0.0004","66.363","0.018","64.94","0.02","88.2","0.03","1003.9","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0261","0.0247","","","0.0583","0.0611","","","","","","1.066","","","","has coordinates","241525","2020-10-21","18:00:00",""
"4131294","7.4908","0.001","16.573","0.0016","20.429","0.002","90","","90","","90","","2536.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0412","0.0386","","","0.0886","0.0911","","","","","","1.067","","","","has coordinates","241526","2020-10-21","18:00:00",""
"4131295","7.3516","0.0002","13.8595","0.0003","14.8108","0.0003","90","","90","","90","","1509.07","0.06","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O2 -","- C18 H14 I N O2 -","- C72 H56 I4 N4 O8 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0251","0.0245","","","0.0642","0.0661","","","","","","1.09","","","","has coordinates","241527","2020-10-21","18:00:00",""
"4131296","11.313","0.002","11.747","0.002","18.32","0.004","100.322","0.001","103.982","0.002","105.943","0.002","2191.5","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H59 Cl3 N O4 P Pd -","- C42 H59 Cl3 N O4 P Pd -","- C84 H118 Cl6 N2 O8 P2 Pd2 -","2","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0698","0.0553","","","0.1335","0.1459","","","","","","1.077","","","","has coordinates","241528","2020-10-21","18:00:00",""
"4131297","16.218","0.0008","20.5475","0.0009","24.1827","0.0009","90","","90","","90","","8058.6","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H60 N O4 P Pd -","- C45 H60 N O4 P Pd -","- C360 H480 N8 O32 P8 Pd8 -","8","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0401","0.0348","","","0.0839","0.0876","","","","","","1.042","","","","has coordinates","241529","2020-10-21","18:00:00",""
"4131298","33.36","0.03","5.857","0.004","34.01","0.04","90","","90.95","0.012","90","","6644","11","123","2","123","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26.67 H30.67 O1.33 -","- C26.6667 H32 O1.33333 -","- C320 H384 O16 -","12","3","","Guo, Yi-An; Liang, Tao; Kim, Seung Wook; Xiao, Hongde; Krische, Michael J.","Nickel-Catalyzed Cross-Coupling of Vinyl Dioxanones to Form Enantiomerically Enriched Cyclopropanes.","Journal of the American Chemical Society","2017","139","20","6847","6850","10.1021/jacs.7b03371","","","0.71073","MoKα","","0.3306","0.1585","","","0.3806","0.4515","","","","","","1.021","","","","has coordinates","241530","2020-10-21","18:00:00",""
"4131299","39.33","0.003","7.9638","0.0006","10.8208","0.0008","90","","93.2487","0.0015","90","","3383.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H46 Hf O Si3 -","- C36 H46 Hf O Si3 -","- C144 H184 Hf4 O4 Si12 -","4","1","","Dong, Zhaowen; Reinhold, Crispin R. W.; Schmidtmann, Marc; Müller, Thomas","A Stable Silylene with a σ<sup>2</sup>, π- Butadiene Ligand.","Journal of the American Chemical Society","2017","139","20","7117","7123","10.1021/jacs.7b03566","","","0.71073","MoKα","","0.0274","0.0246","","","0.0505","0.0512","","","","","","1.095","","","","has coordinates,has disorder","241531","2020-10-21","18:00:00",""
"4131300","5.7924","0.0003","8.1095","0.0003","29.6243","0.0013","90","","90","","90","","1391.56","0.11","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","1","","Jia, Tiezheng; Zhang, Mengnan; McCollom, Samuel P.; Bellomo, Ana; Montel, Sonia; Mao, Jianyou; Dreher, Spencer D.; Welch, Christopher J.; Regalado, Erik L.; Williamson, R. Thomas; Manor, Brian C.; Tomson, Neil C.; Walsh, Patrick J.","Palladium-Catalyzed Enantioselective Arylation of Aryl Sulfenate Anions: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","24","8337","8345","10.1021/jacs.7b03623","","","0.71075","MoKα","","0.0267","0.0264","","","0.0702","0.0704","","","","","","1.154","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4131301","11.9018","0.0003","11.9018","0.0003","32.8715","0.0009","90","","90","","120","","4032.51","0.18","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H90 I10 Na4 O15 S15 -","- C30 H90 I10 Na3.999 O15 S15 -","- C60 H180 I20 Na7.998 O30 S30 -","2","0.166667","","Plata, R. Erik; Hill, David E.; Haines, Brandon E.; Musaev, Djamaladdin G.; Chu, Ling; Hickey, David P.; Sigman, Matthew S.; Yu, Jin-Quan; Blackmond, Donna G.","A Role for Pd(IV) in Catalytic Enantioselective C-H Functionalization with Monoprotected Amino Acid Ligands under Mild Conditions.","Journal of the American Chemical Society","2017","139","27","9238","9245","10.1021/jacs.7b03716","","x-ray","0.71073","MoKα","","0.0561","0.0445","","","0.0813","0.0854","","","","","","1.229","","","","has coordinates,has disorder","241534","2020-10-21","18:00:00",""
"4131302","23.024","0.003","17.123","0.002","23.177","0.003","90","","110.793","0.002","90","","8542.2","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 N4 O -","- C51 H54 N4 O -","- C408 H432 N32 O8 -","8","2","","Rajamalli, P.; Senthilkumar, N.; Huang, P.-Y.; Ren-Wu, C-C; Lin, H.-W.; Cheng, C.-H.","New Molecular Design Concurrently Providing Superior Pure Blue, Thermally Activated Delayed Fluorescence and Optical Out-Coupling Efficiencies.","Journal of the American Chemical Society","2017","139","32","10948","10951","10.1021/jacs.7b03848","","","0.71073","MoKα","","0.262","0.085","","","0.1844","0.2693","","","","","","0.938","","","","has coordinates","241535","2020-10-21","18:00:00",""
"4131303","34.9141","0.0003","10.9153","0.0001","18.6607","0.0001","90","","90","","90","","7111.55","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H88 Cl2 Fe P2 Si8 -","- C54 H88 Cl2 Fe P2 Si8 -","- C216 H352 Cl8 Fe4 P8 Si32 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7","Synchrotron","","0.0507","0.0447","","","0.1023","0.1082","","","","","","1.072","","","","has coordinates,has disorder","241536","2020-10-21","18:00:00",""
"4131304","11.833","0.0015","11.833","0.0015","24.665","0.004","90","","90","","90","","3453.6","0.8","113","","113","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C17 H21 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","","0.0369","","","","0.1135","","","","","","1.105","","","","has coordinates","241537","2020-10-21","18:00:00",""
"4131305","7.8203","0.0017","11.336","0.003","19.356","0.004","90","","90","","90","","1715.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F O7 -","- C17 H19 F O7 -","- C68 H76 F4 O28 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","0.0334","0.0327","","","0.0887","0.0896","","","","","","1.042","","","","has coordinates","241538","2020-10-21","18:00:00",""
"4131306","9.4057","0.0012","11.9467","0.0016","15.1002","0.0019","81.006","0.004","88.203","0.004","79.304","0.004","1646.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H26 Cl2 N2 Pt -","- C43 H26 Cl2 N2 Pt -","- C86 H52 Cl4 N4 Pt2 -","2","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.03","0.0274","","","0.0667","0.0684","","","","","","1.047","","","","has coordinates","241539","2020-10-21","18:00:00",""
"4131307","17.492","0.003","9.249","0.002","18.881","0.002","90","","97.13","0.02","90","","3031","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0204","0.0176","","","0.043","0.0441","","","","","","1.054","","","","has coordinates","241540","2020-10-21","18:00:00",""
"4131308","7.566","0.002","20.775","0.003","17.105","0.002","90","","92.01","0.02","90","","2687","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl4 N Pt S -","- C26 H23 Cl4 N Pt S -","- C104 H92 Cl16 N4 Pt4 S4 -","4","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.56086","AgKα","","0.03","0.0253","","","0.0474","0.0487","","","","","","1.186","","","","has coordinates,has disorder","241541","2020-10-21","18:00:00",""
"4131309","17.5938","0.0012","9.2189","0.0006","18.8427","0.0014","90","","96.984","0.003","90","","3033.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","2","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0564","0.0307","","","0.0445","0.0487","","","","","","1.035","","","","has coordinates","287939","2023-12-01","16:52:17",""
"4131310","6.0647","0.0003","20.1459","0.0009","25.5946","0.0012","90","","90","","90","","3127.1","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.0681","0.0506","","","0.1162","0.1264","","","","","","1.085","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131311","6.0437","0.0006","20.048","0.002","25.411","0.002","90","","90","","90","","3078.9","0.5","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.2463","0.0859","","","0.1509","0.2139","","","","","","0.839","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131312","9.9203","0.0007","13.1108","0.0007","13.241","0.0011","105.287","0.003","98.379","0.002","110.223","0.004","1504.51","0.19","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C76 H56 Au4 N4 -","4","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.1464","0.0743","","","0.1751","0.2566","","","","","","1.131","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131313","21.996","0.002","21.996","0.002","24.912","0.002","90","","90","","120","","10438.2","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H103 N O52.5 Y9 -","- C104 H54 N0.9996 O49.202 Y9 -","- C208.001 H108 N1.9992 O98.404 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.125","0.0839","","","0.2453","0.2731","","","","","","1.06","","","","has coordinates,has disorder","241544","2020-10-21","18:00:00",""
"4131314","22.0149","0.0002","22.0149","0.0002","24.6746","0.0002","90","","90","","120","","10356.5","0.16","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C108 H106 N3 O47 Y9 -","- C108 H78 N3 O47 Y9 -","- C216 H156 N6 O94 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54184","CuKα","","0.0806","0.0765","","","0.2505","0.2561","","","","","","1.061","","","","has coordinates,has disorder","241545","2020-10-21","18:00:00",""
"4131315","22.1501","0.0005","22.1501","0.0005","24.4015","0.0007","90","","90","","120","","10368.1","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H86 N O44 Y9 -","- C104 H54 N0.9996 O44 Y9 -","- C208.001 H108 N1.9992 O88 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54178","CuKα","","0.0629","0.0572","","","0.1696","0.1756","","","","","","1.038","","","","has coordinates,has disorder","241546","2020-10-21","18:00:00",""
"4131316","22.098","0.001","22.098","0.001","24.706","0.002","90","","90","","120","","10448.1","1.1","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H240 N O121 Y9 -","- C104 H54 N0.9996 O56.5007 Y9 -","- C208.001 H108 N1.9992 O113.001 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.1399","0.0824","","","0.2357","0.2731","","","","","","1.024","","","","has coordinates,has disorder","241547","2020-10-21","18:00:00",""
"4131317","7.309","0.0005","15.1112","0.0011","21.9523","0.0016","90","","90.131","0.003","90","","2424.6","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O4 Si -","- C25 H31 N O4 Si -","- C100 H124 N4 O16 Si4 -","4","1","","Liu, Qi; Chen, Yu; Zhang, Xiao; Houk, K. N.; Liang, Yong; Smith, 3rd, Amos B","Type II Anion Relay Chemistry: Conformational Constraints To Achieve Effective [1,5]-Vinyl Brook Rearrangements.","Journal of the American Chemical Society","2017","139","25","8710","8717","10.1021/jacs.7b04149","","","0.71073","MoKα","","0.0316","0.0301","","","0.0797","0.081","","","","","","1.03","","","","has coordinates","241548","2020-10-21","18:00:00",""
"4131318","9.4816","0.0006","10.0759","0.0006","13.0176","0.0008","83.55","0.003","89.861","0.003","84.338","0.003","1229.7","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C58 H58 N2 O8 -","2","1","","Liu, Qi; Chen, Yu; Zhang, Xiao; Houk, K. N.; Liang, Yong; Smith, 3rd, Amos B","Type II Anion Relay Chemistry: Conformational Constraints To Achieve Effective [1,5]-Vinyl Brook Rearrangements.","Journal of the American Chemical Society","2017","139","25","8710","8717","10.1021/jacs.7b04149","","","0.71073","MoKα","","0.0711","0.0581","","","0.1409","0.1474","","","","","","1.135","","","","has coordinates","241549","2020-10-21","18:00:00",""
"4131319","11.3312","0.0009","12.7706","0.001","15.9521","0.0012","81.835","0.005","79.96","0.005","69.591","0.005","2122.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Cl N3 Nb P3 -","- C45 H51 Cl N3 Nb P3 -","- C90 H102 Cl2 N6 Nb2 P6 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0633","0.0408","","0.0881","0.0824","0.0881","","","","","","0.9549","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131320","21.9571","0.001","18.7784","0.0009","25.3992","0.0011","90","","90","","90","","10472.6","0.8","120","","120","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C424 H536 Br8 Cl8 Fe8 N24 Nb8 O16 P24 -","8","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0675","0.0392","","0.1045","0.0829","0.1045","","","","","","1.0211","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131321","11.0896","0.0007","20.9802","0.0013","11.1696","0.0007","90","","110.611","0.003","90","","2432.4","0.3","120","","120","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C94 H106 Cl6 F6 N6 Nb2 O6 P6 S2 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0632","0.06","","0.1597","0.1541","0.1597","","","","","","1.0015","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131322","21.1756","0.0007","21.1756","0.0007","21.1756","0.0007","90","","90","","90","","9495.3","0.5","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Fe N3 Nb P4 -","- C48 H60 Fe N3 Nb P4 -","- C384 H480 Fe8 N24 Nb8 P32 -","8","0.333333","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0608","0.0337","","0.0662","0.0578","0.0662","","","","","","1.0091","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131323","11.4934","0.001","11.9662","0.0011","18.4394","0.0017","89.741","0.005","86.923","0.004","62.315","0.004","2241.8","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 Nb P3 -","- C48 H58 N4 Nb P3 -","- C96 H116 N8 Nb2 P6 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0377","0.0282","","0.0709","0.0649","0.0709","","","","","","0.9798","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131324","11.6894","0.0005","18.0344","0.0008","22.1156","0.001","90","","92.853","0.002","90","","4656.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br Fe N4 Nb P3 -","- C48 H58 Br Fe N4 Nb P3 -","- C192 H232 Br4 Fe4 N16 Nb4 P12 -","4","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0313","0.0246","","0.0619","0.0584","0.0619","","","","","","0.9855","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131325","18.6191","0.0009","13.1806","0.0006","42.711","0.002","90","","90.867","0.002","90","","10480.5","0.9","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H73 Fe N4 Nb P4 -","- C53.5 H73 Fe N4 Nb P4 -","- C428 H584 Fe8 N32 Nb8 P32 -","8","2","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0804","0.0396","","0.1086","0.0875","0.1086","","","","","","0.983","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131326","12.551","0.002","14.785","0.002","19.348","0.003","90","","90.638","0.008","90","","3590.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tes009","tes009","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C152 H132 Cl8 I8 O4 P8 Rh4 -","4","1","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0337","0.026","","","0.0631","0.0672","","","","","","1.034","","","","has coordinates,has disorder","241551","2020-10-21","18:00:00",""
"4131327","12.6322","0.001","14.7078","0.0014","19.7418","0.0018","90","","94.445","0.004","90","","3656.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","tes_017","tes_017","","- C43 H35 Br I O P2 Rh -","- C43 H35 Br I O P2 Rh -","- C172 H140 Br4 I4 O4 P8 Rh4 -","4","0.5","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0485","0.0287","","","0.0547","0.0605","","","","","","1.02","","","","has coordinates","241551","2020-10-21","18:00:00",""
"4131328","13.8558","0.0008","16.7013","0.0009","15.9056","0.0009","90","","98.532","0.003","90","","3640","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tes_018","tes_018","","- C42 H37 I O3 P2 Rh -","- C42 H37 I O3 P2 Rh -","- C168 H148 I4 O12 P8 Rh4 -","4","1","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0446","0.0408","","","0.1124","0.1149","","","","","","1.082","","","","has coordinates","241551","2020-10-21","18:00:00",""
"4131329","14.565","0.0004","7.6815","0.0002","15.6786","0.0004","90","","106.182","0.001","90","","1684.64","0.08","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","","1.54178","CuKα","","0.0383","0.0363","","","0.0915","0.093","","","","","","1.053","","","","has coordinates","241552","2020-10-21","18:00:00",""
"4131330","6.8534","0.0005","7.5227","0.0005","14.8874","0.0011","82.243","0.002","87.87","0.002","64.183","0.001","684.4","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0993","0.1049","","","","","","1.038","","","","has coordinates","241553","2020-10-21","18:00:00",""
"4131331","9.3686","0.0002","10.5348","0.0002","13.5886","0.0003","90","","90","","90","","1341.14","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","","0.0296","0.0291","","","0.075","0.0754","","","","","","1.065","","","","has coordinates","241554","2020-10-21","18:00:00",""
"4131332","10.0498","0.0015","11.7372","0.0017","10.964","0.0016","90","","99.133","0.004","90","","1276.9","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","K-L~3~","0.0405","0.0396","","","0.0994","0.1001","","","","","","1.09","","","","has coordinates","241555","2020-10-21","18:00:00",""
"4131333","7.1807","0.0005","12.0511","0.0009","16.0115","0.0013","90","","101.718","0.002","90","","1356.68","0.18","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0644","0.0396","","","0.0831","0.0944","","","","","","1.057","","","","has coordinates","241556","2020-10-21","18:00:00",""
"4131334","7.8097","0.0003","9.8942","0.0004","11.084","0.0004","114.01","0.001","92.225","0.001","94.556","0.001","777.51","0.05","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0401","0.0369","","","0.0956","0.0986","","","","","","1.061","","","","has coordinates","241557","2020-10-21","18:00:00",""
"4131335","8.3454","0.0003","25.5444","0.0008","7.8491","0.0002","90","","102.146","0.001","90","","1635.8","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","","1.54178","CuKα","","0.0478","0.0475","","","0.1315","0.1317","","","","","","1.271","","","","has coordinates","241558","2020-10-21","18:00:00",""
"4131336","15.2797","0.0011","21.3748","0.0015","21.7718","0.0015","74.223","0.01","77.054","0.01","79.381","0.011","6610.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 Fe N9 P2 -","- C54 H45 F12 Fe N9 P2 -","- C216 H180 F48 Fe4 N36 P8 -","4","2","","Elool Dov, Neta; Shankar, Sreejith; Cohen, Dana; Bendikov, Tatyana; Rechav, Katya; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Electrochromic Metallo-Organic Nanoscale Films: Fabrication, Color Range, and Devices.","Journal of the American Chemical Society","2017","139","33","11471","11481","10.1021/jacs.7b04217","","","0.71073","MoKα","","0.1296","0.0776","","","0.1985","0.2301","","","","","","0.937","","","","has coordinates,has disorder","241559","2020-10-21","18:00:00",""
"4131337","14.5702","0.001","6.0644","0.0009","10.9344","0.001","90","","90","","90","","966.16","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C48 H40 N4 O6 -","2","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0392","0.0385","","","0.1121","0.1125","","","","","","1.099","","","","has coordinates","241560","2020-10-21","18:00:00",""
"4131338","12.7229","0.0008","12.7229","0.0008","14.6505","0.0013","90","","90","","90","","2371.5","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H24 B2 O4 -","- C28 H24 B2 O4 -","- C112 H96 B8 O16 -","4","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","0.71073","MoKα","","0.0645","0.0522","","","0.112","0.1176","","","","","","1.1","","","","has coordinates","241561","2020-10-21","18:00:00",""
"4131339","15.1085","0.0007","10.0011","0.0005","19.4655","0.0009","90","","103.708","0.002","90","","2857.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B2 N2 O4 -","- C30 H38 B2 N2 O4 -","- C120 H152 B8 N8 O16 -","4","1","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0596","0.0552","","","0.1593","0.1645","","","","","","1.02","","","","has coordinates","241562","2020-10-21","18:00:00",""
"4131340","6.2276","0.0006","10.0974","0.0009","33.032","0.003","90","","90","","90","","2077.1","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hxqG7","","","- C24 H23 Br N2 O -","- C24 H23 Br N2 O -","- C96 H92 Br4 N8 O4 -","4","1","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0433","0.0397","","","0.096","0.0975","","","","","","1.048","","","","has coordinates,has disorder","241563","2020-10-21","18:00:00",""
"4131341","22.0286","0.0009","13.8772","0.0006","15.944","0.0007","90","","90","","90","","4874","0.4","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0677","0.0466","","","0.0964","0.104","","","","","","1.016","","","","has coordinates,has disorder","241564","2020-10-21","18:00:00",""
"4131342","25.1184","0.0018","15.5983","0.0011","19.6259","0.0013","90","","95.15","0.002","90","","7658.5","0.9","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@D2d-C84 Ni(OEP)","Lu2@D2d-C84 Ni(OEP)","","- C122 H45 Cl6 Lu2 N4 Ni S0 -","- C122 H45 Cl6 Lu1.9998 N4 Ni -","- C488 H180 Cl24 Lu7.9992 N16 Ni4 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71073","MoKα","","0.1211","0.1118","","","0.3046","0.3166","","","","","","1.034","","","","has coordinates,has disorder","241565","2020-10-21","18:00:00",""
"4131343","25.2648","0.0012","15.5167","0.0007","19.4962","0.0009","90","","94.4003","0.0013","90","","7620.5","0.6","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@C3v-C82 Ni(OEP)","Lu2@C3v-C82 Ni(OEP)","","- C120 H44.83 Cl2.5 Lu2 N4 Ni S2.33 -","- C120 H44.8342 Cl2.5026 Lu1.9999 N4 Ni S2.3316 -","- C480 H179.337 Cl10.0104 Lu7.9996 N16 Ni4 S9.3264 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71073","MoKα","","0.1419","0.1125","","","0.3448","0.3742","","","","","","1.545","","","","has coordinates,has disorder","241566","2020-10-21","18:00:00",""
"4131344","19.948","0.005","15.035","0.005","25.348","0.005","90","0.005","94.356","0.005","90","0.005","7580","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lu2@Cs-C82 Ni(OEP)","Lu2@Cs-C82 Ni(OEP)","","- C130 H56 Lu2 N4 Ni S0 -","- C130 H56 Lu2 N4 Ni -","- C520 H224 Lu8 N16 Ni4 -","4","1","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71069","MoKα","","0.1389","0.1194","","","0.2426","0.2533","","","","","","1.116","","","","has coordinates,has disorder","241567","2020-10-21","18:00:00",""
"4131345","25.481","0.005","15.143","0.005","20.168","0.005","90","0.005","96.708","0.005","90","0.005","7729","4","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@C2v-C86 Ni(OEP)","Lu2@C2v-C86 Ni(OEP)","","- C124 H46 Cl6 Lu2 N4 Ni S0 -","- C124 H46 Cl6 Lu2 N4 Ni -","- C496 H184 Cl24 Lu8 N16 Ni4 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71069","MoKα","","0.1567","0.1121","","","0.2776","0.3166","","","","","","1.373","","","","has coordinates,has disorder","241568","2020-10-21","18:00:00",""
"4131346","21.4943","0.0002","30.5259","0.0003","21.5548","0.0003","90","","90.862","0.001","90","","14141.2","0.3","149.4","0.9","149.4","0.9","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C286 H206 Au19 Cl2 Cu30 N2 O12 P6 -","- C286 H200 Au19 Cl2 Cu30 N2 O10 P6 -","- C572 H400 Au38 Cl4 Cu60 N4 O20 P12 -","2","0.5","","Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming","Atomically Precise Bimetallic Au<sub>19</sub>Cu<sub>30</sub> Nanocluster with an Icosidodecahedral Cu<sub>30</sub> Shell and an Alkynyl-Cu Interface.","Journal of the American Chemical Society","2017","139","28","9451","9454","10.1021/jacs.7b04622","","","1.54178","CuKα","","0.0633","0.0507","","","0.144","0.154","","","","","","1.099","","","","has coordinates,has disorder","241569","2020-10-21","18:00:00",""
"4131347","20.9011","0.0003","30.0147","0.0005","21.3713","0.0004","90","","91.906","0.002","90","","13399.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C240 H172 Au19 Cl2 Cu30 N3 O17 P6 S22 -","- C240 H156 Au19 Cl2 Cu30 N2 O14 P6 S22 -","- C480 H312 Au38 Cl4 Cu60 N4 O28 P12 S44 -","2","0.5","","Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming","Atomically Precise Bimetallic Au<sub>19</sub>Cu<sub>30</sub> Nanocluster with an Icosidodecahedral Cu<sub>30</sub> Shell and an Alkynyl-Cu Interface.","Journal of the American Chemical Society","2017","139","28","9451","9454","10.1021/jacs.7b04622","","","1.54178","CuKα","","0.0854","0.058","","","0.1486","0.1754","","","","","","1.074","","","","has coordinates","241570","2020-10-21","18:00:00",""
"4131348","9.3812","0.0002","12.873","0.0002","29.8093","0.0007","90","","90","","90","","3599.9","0.13","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 I O4 Si -","- C36 H51 I O4 Si -","- C144 H204 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Enantioselective Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds.","Journal of the American Chemical Society","2017","139","25","8420","8423","10.1021/jacs.7b04756","","x-ray","1.54184","CuKα","","0.0494","0.0491","","","0.1364","0.1368","","","","","","1.073","","","","has coordinates,has disorder","241571","2020-10-21","18:00:00",""
"4131349","11.0587","0.0006","25.898","0.0013","13.77","0.0008","90","","105.743","0.001","90","","3795.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H58 Al N5 -","- C41 H58 Al N5 -","- C164 H232 Al4 N20 -","4","1","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Oxidative Cleavage of the C═N Bond on Al(I).","Journal of the American Chemical Society","2017","139","26","8804","8807","10.1021/jacs.7b04841","","","0.71073","MoKα","","0.0666","0.0439","","","0.106","0.1181","","","","","","1.025","","","","has coordinates","241572","2020-10-21","18:00:00",""
"4131350","14.3245","0.0012","13.9107","0.0011","16.7445","0.0014","90","","104.782","0.001","90","","3226.1","0.5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 N5 Pt -","- C40 H37 N5 Pt -","- C160 H148 N20 Pt4 -","4","0.5","","Chan, Alan Kwun-Wa; Ng, Maggie; Wong, Yi-Chun; Chan, Mei-Yee; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Synthesis and Characterization of Luminescent Cyclometalated Platinum(II) Complexes with Tunable Emissive Colors and Studies of Their Application in Organic Memories and Organic Light-Emitting Devices.","Journal of the American Chemical Society","2017","139","31","10750","10761","10.1021/jacs.7b04952","","","0.71073","MoKα","","0.0176","0.0164","","","0.0397","0.0403","","","","","","1.052","","","","has coordinates","241573","2020-10-21","18:00:00",""
"4131351","8.5414","0.0004","27.3619","0.0014","13.5613","0.0007","90","","90.133","0.002","90","","3169.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","SL1672-B","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0977","0.0689","","","0.1306","0.1419","","","","","","1.083","","","","has coordinates","241574","2020-10-21","18:00:00",""
"4131352","8.8933","0.0003","9.3676","0.0004","11.1619","0.0005","95.392","0.002","104.214","0.001","90.329","0.001","897.03","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SL1869-B","","","- C21 H33 O2 -","- C21 H33 O2 -","- C42 H66 O4 -","2","1","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0619","0.0446","","","0.0982","0.1102","","","","","","1.026","","","","has coordinates","241575","2020-10-21","18:00:00",""
"4131353","10.722","0.0004","10.722","0.0004","60.769","0.002","90","","90","","90","","6986.1","0.4","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","SL1800","","","- C20 H30 O3 -","- C20 H30 O3 -","- C320 H480 O48 -","16","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0663","0.0606","","","0.142","0.1443","","","","","","1.198","","","","has coordinates,has disorder","241576","2020-10-21","18:00:00",""
"4131354","11.1208","0.0003","11.3351","0.0003","18.5681","0.0005","90","","90","","90","","2340.61","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H42 B Fe N3 P2 -","- C19 H42 B Fe N3 P2 -","- C76 H168 B4 Fe4 N12 P8 -","4","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0354","0.0258","","","0.0273","0.0284","","","","1.09","1.09","1.05","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131355","18.5403","0.0004","22.3875","0.0005","28.9019","0.0007","90","","90","","90","","11996.3","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H52 B Fe N3 O2 P2 -","- C25 H52 B Fe N3 O2 P2 -","- C400 H832 B16 Fe16 N48 O32 P32 -","16","2","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.1051","0.0453","","","0.0414","0.0474","","","","1.58","1.58","1.33","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131356","28.0364","0.0019","11.6906","0.0008","13.9459","0.0009","90","","97.324","0.002","90","","4533.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H41 Fe N3 P2 -","- C19 H41 Fe N3 P2 -","- C152 H328 Fe8 N24 P16 -","8","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0576","0.0321","","","0.0342","0.0364","","","","1.61","1.61","1.44","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131357","5.5523","0.0002","9.9458","0.0003","17.2211","0.0006","102.928","0.002","91.667","0.002","100.473","0.002","909.02","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71452-132","gene905","","- C23 H21 F O -","- C23 H21 F O -","- C46 H42 F2 O2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0533","0.0428","","","0.1052","0.1129","","","","","","1.085","","","","has coordinates","241578","2020-10-21","18:00:00",""
"4131358","9.4458","0.0004","9.8045","0.0004","10.2876","0.0004","74.222","0.001","80.9","0.001","76.852","0.001","888.09","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-151","gene961","","- C24 H21 F -","- C24 H21 F -","- C48 H42 F2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0519","0.0446","","","0.111","0.1178","","","","","","1.062","","","","has coordinates","241579","2020-10-21","18:00:00",""
"4131359","7.8872","0.0007","6.0338","0.0005","21.8424","0.0019","90","","91.418","0.002","90","","1039.16","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-057","gene767","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C48 H48 O8 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0616","0.0495","","","0.1043","0.1094","","","","","","1.045","","","","has coordinates","241580","2020-10-21","18:00:00",""
"4131360","8.5739","0.0016","5.6098","0.001","31.566","0.006","90","","96.311","0.004","90","","1509.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-138","gene906","","- C21 H17 F -","- C21 H17 F -","- C84 H68 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0843","0.0711","","","0.1273","0.1315","","","","","","1.248","","","","has coordinates","241581","2020-10-21","18:00:00",""
"4131361","10.1549","0.0007","14.8484","0.001","15.7384","0.0011","90","","102.915","0.001","90","","2313.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-46","gene777","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0576","0.0465","","","0.1181","0.1267","","","","","","1.072","","","","has coordinates","241582","2020-10-21","18:00:00",""
"4131362","11.9658","0.001","5.5651","0.0005","13.704","0.0013","90","","96.528","0.003","90","","906.64","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","71452-162","gene965","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0705","0.0588","","","0.1458","0.1545","","","","","","1.067","","","","has coordinates","241583","2020-10-21","18:00:00",""
"4131363","5.9623","0.0003","7.832","0.0003","41.1862","0.0018","90","","90","","90","","1923.26","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-53","gene800","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0427","0.0396","","","0.0881","0.0896","","","","","","1.116","","","","has coordinates,has disorder","241584","2020-10-21","18:00:00",""
"4131364","6.138","0.0003","8.0372","0.0004","40.2939","0.0018","90","","90","","90","","1987.79","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71462-43","gene775","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C92 H84 F4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0321","0.0314","","","0.0883","0.0889","","","","","","1.117","","","","has coordinates","241585","2020-10-21","18:00:00",""
"4131365","10.3876","0.0011","11.2894","0.0012","11.3219","0.0012","106.35","0.002","105.817","0.002","114.671","0.002","1035.43","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","71462-058","gene765","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C48 H48 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0518","0.0426","","","0.1114","0.1217","","","","","","1.048","","","","has coordinates","241586","2020-10-21","18:00:00",""
"4131366","5.721","0.003","16.056","0.009","18.916","0.011","90","","91.068","0.011","90","","1737.3","1.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","71452-123","gene903","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0769","0.0496","","","0.1109","0.1237","","","","","","1.031","","","","has coordinates","241587","2020-10-21","18:00:00",""
"4131367","10.1785","0.0011","11.2505","0.0012","18.6095","0.0019","90","","99.021","0.002","90","","2104.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-44","gene774","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0654","0.0472","","","0.1139","0.1261","","","","","","1.029","","","","has coordinates","241588","2020-10-21","18:00:00",""
"4131368","7.296","0.0004","13.462","0.0007","23.3477","0.0012","90","","95.558","0.002","90","","2282.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71452-089","gene869","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0543","0.041","","","0.0955","0.1027","","","","","","1.055","","","","has coordinates","241589","2020-10-21","18:00:00",""
"4131369","7.8225","0.0008","6.0641","0.0007","20.897","0.002","90","","93.48","0.004","90","","989.45","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-052","gene754","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C46 H42 Cl2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0242","0.0239","","","0.0614","0.0615","","","","","","1.067","","","","has coordinates","241590","2020-10-21","18:00:00",""
"4131370","22.047","0.002","10.2379","0.001","19.341","0.002","90","","100.02","0.002","90","","4299","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","71462-64","gene780","","- C24 H21 F3 O3 S -","- C24 H21 F3 O3 S -","- C192 H168 F24 O24 S8 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0591","0.0465","","","0.1125","0.1232","","","","","","1.035","","","","has coordinates","241591","2020-10-21","18:00:00",""
"4131371","7.8407","0.0008","5.9578","0.0006","20.722","0.002","90","","94.566","0.002","90","","964.92","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-051","gene755","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C46 H42 F2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0632","0.0516","","","0.1186","0.1254","","","","","","1.038","","","","has coordinates","241592","2020-10-21","18:00:00",""
"4131372","5.7536","0.0003","18.8396","0.001","19.464","0.0011","100.729","0.003","92.651","0.003","91.874","0.003","2068.87","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71462-047","gene769","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","2","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0942","0.0588","","","0.1361","0.152","","","","","","1.024","","","","has coordinates","241593","2020-10-21","18:00:00",""
"4131373","11.0293","0.0006","10.1869","0.0006","18.0805","0.001","90","","95.853","0.001","90","","2020.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","71462-49","gene779","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C92 H84 Cl4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0462","0.0399","","","0.0976","0.103","","","","","","1.057","","","","has coordinates","241594","2020-10-21","18:00:00",""
"4131374","17.5541","0.0007","5.63","0.0002","20.232","0.0009","90","","99.807","0.002","90","","1970.3","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-154","gene963","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0881","0.0696","","","0.1859","0.207","","","","","","1.04","","","","has coordinates","241595","2020-10-21","18:00:00",""
"4131375","16.2361","0.0011","7.3738","0.0005","17.5467","0.0012","90","","107.591","0.001","90","","2002.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-71","gene798","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0625","0.0441","","","0.102","0.1125","","","","","","1.055","","","","has coordinates","241596","2020-10-21","18:00:00",""
"4131376","12.5238","0.0008","9.4922","0.0006","16.7995","0.0011","90","","107.658","0.001","90","","1903","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","71452-126","gene893","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0509","0.0394","","","0.0902","0.0971","","","","","","1.036","","","","has coordinates","241597","2020-10-21","18:00:00",""
"4131377","9.3346","0.0004","10.3434","0.0004","17.6498","0.0007","90","","99.825","0.002","90","","1679.12","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-131B","gene918","","- C22 H18 F2 -","- C22 H18 F2 -","- C88 H72 F8 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.058","0.0426","","","0.1027","0.1125","","","","","","1.063","","","","has coordinates","241598","2020-10-21","18:00:00",""
"4131378","14.7622","0.0013","7.5055","0.0007","19.1024","0.0018","90","","112.638","0.001","90","","1953.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-48","gene778","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C96 H96 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0545","0.0417","","","0.0976","0.1062","","","","","","1.056","","","","has coordinates","241599","2020-10-21","18:00:00",""
"4131379","10.102","0.003","8.912","0.003","18.5","0.006","90","","95.274","0.007","90","","1658.5","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-128","gene919","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1212","0.0809","","","0.1758","0.1905","","","","","","1.188","","","","has coordinates","241600","2020-10-21","18:00:00",""
"4131380","12.2957","0.0005","8.703","0.0004","15.5509","0.0006","90","","92.233","0.002","90","","1662.83","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-122A","gene891","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0363","0.0337","","","0.0861","0.0888","","","","","","1.046","","","","has coordinates","241601","2020-10-21","18:00:00",""
"4131381","10.6254","0.001","17.428","0.002","21.959","0.002","90","","90","","90","","4066.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","71452-149","gene959","","- C25 H23 F O2 -","- C25 H23 F O2 -","- C200 H184 F8 O16 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1","0.0493","","","0.1142","0.1493","","","","","","1.014","","","","has coordinates","241602","2020-10-21","18:00:00",""
"4131382","9.3948","0.0003","9.4545","0.0003","10.5713","0.0004","113.006","0.001","90.533","0.001","93.797","0.001","861.76","0.05","100","2","100","2","","","","","","","","2","P -1","-P 1","2","71452-153","gene962","","- C23 H22 -","- C23 H22 -","- C46 H44 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0416","0.0399","","","0.1048","0.1068","","","","","","1.044","","","","has coordinates","241603","2020-10-21","18:00:00",""
"4131383","11.5316","0.0007","19.9422","0.0013","9.0447","0.0006","90","","108.879","0.002","90","","1968.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","68706-019","gene870","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.044","0.0374","","","0.0879","0.0919","","","","","","1.042","","","","has coordinates","241604","2020-10-21","18:00:00",""
"4131384","10.1195","0.001","11.0431","0.0011","11.1733","0.0011","62.149","0.002","70.126","0.002","87.43","0.002","1028.44","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71462-45","gene776","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C48 H48 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0597","0.0477","","","0.1166","0.1252","","","","","","1.062","","","","has coordinates","241605","2020-10-21","18:00:00",""
"4131385","6.1836","0.0003","7.6778","0.0004","19.3378","0.0009","90","","90.454","0.001","90","","918.06","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-055","gene768","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C44 H40 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0439","0.0387","","","0.0922","0.1036","","","","","","1.157","","","","has coordinates","241606","2020-10-21","18:00:00",""
"4131386","31.553","0.003","5.657","0.0004","9.6179","0.0007","90","","90","","90","","1716.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","71452-147","gene917","","- C23 H21 F -","- C23 H21 F -","- C92 H84 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0584","0.0516","","","0.1012","0.1032","","","","","","1.116","","","","has coordinates","241607","2020-10-21","18:00:00",""
"4131387","12.8187","0.0005","8.7228","0.0004","15.7048","0.0006","90","","93.929","0.001","90","","1751.9","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-146","gene958","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0357","0.0343","","","0.0886","0.0901","","","","","","1.042","","","","has coordinates","241608","2020-10-21","18:00:00",""
"4131388","6.0473","0.0002","23.2692","0.0009","15.0816","0.0005","90","","98.752","0.002","90","","2097.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","68863-199","gene804","","- C24 H21 F3 O3 S -","- C24 H21 F3 O3 S -","- C96 H84 F12 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0608","0.0453","","","0.1065","0.1149","","","","","","1.02","","","","has coordinates","241609","2020-10-21","18:00:00",""
"4131389","44.237","0.01","10.331","0.002","9.158","0.002","90","","95.834","0.004","90","","4163.6","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-062","gene766","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C200 H192 O24 S8 -","8","2","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1296","0.1169","","","0.2951","0.3037","","","","","","1.067","","","","has coordinates","241610","2020-10-21","18:00:00",""
"4131390","9.585","0.003","10.156","0.003","10.675","0.003","63.143","0.004","79.594","0.004","81.521","0.004","909.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-142","gene920","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.067","0.047","","","0.1115","0.1255","","","","","","1.021","","","","has coordinates,has disorder","241611","2020-10-21","18:00:00",""
"4131391","9.7277","0.0005","10.2705","0.0005","10.7975","0.0005","78.543","0.002","80.516","0.002","66.907","0.002","968.02","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-129","gene904","","- C25 H24 O2 -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0619","0.0447","","","0.1118","0.1224","","","","","","1.067","","","","has coordinates","241612","2020-10-21","18:00:00",""
"4131392","11.2228","0.0011","14.2515","0.0014","12.8006","0.0012","90","","93.122","0.002","90","","2044.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-70","gene797","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C96 H96 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0606","0.0453","","","0.1081","0.1187","","","","","","1.055","","","","has coordinates","241613","2020-10-21","18:00:00",""
"4131393","7.8618","0.0004","6.0592","0.0003","20.5577","0.0009","90","","95.509","0.002","90","","974.77","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-61","gene781","","- C24 H22 O3 S -","- C24 H22 O3 S -","- C48 H44 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0323","0.0321","","","0.0932","0.0933","","","","","","1.179","","","","has coordinates","241614","2020-10-21","18:00:00",""
"4131394","9.5989","0.0013","9.993","0.0013","10.2627","0.0014","78.416","0.002","65.919","0.002","75.486","0.002","864.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-124","gene892","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0856","0.0485","","","0.1011","0.1176","","","","","","1.033","","","","has coordinates","241615","2020-10-21","18:00:00",""
"4131395","9.7278","0.0014","9.3897","0.0014","20.371","0.003","90","","97.634","0.005","90","","1844.2","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-148","gene915","","- C23 H18 F4 -","- C23 H18 F4 -","- C92 H72 F16 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0884","0.0602","","","0.1503","0.1698","","","","","","1.05","","","","has coordinates","241616","2020-10-21","18:00:00",""
"4131396","13.566","0.002","13.861","0.002","15.236","0.003","90","","96.108","0.003","90","","2848.7","0.8","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B F3 N7 O3 P W -","- C24 H34 B F3 N7 O3 P W -","- C96 H136 B4 F12 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0887","0.0688","","","0.1661","0.1767","","","","","","1.33","","","","has coordinates","241617","2020-10-21","18:00:00",""
"4131397","12.1351","0.001","16.3438","0.0013","15.7058","0.0013","90","","108.776","0.001","90","","2949.2","0.4","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B F3 N7 O3 P W -","- C24 H36 B F3 N7 O3 P W -","- C96 H144 B4 F12 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0185","0.0161","","","0.0404","0.0415","","","","","","1.019","","","","has coordinates","241618","2020-10-21","18:00:00",""
"4131398","16.3421","0.0009","16.168","0.0009","23.4046","0.0012","90","","95.524","0.001","90","","6155.2","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B F3 N8 O3 P W -","- C25 H37 B F3 N8 O3 P W -","- C200 H296 B8 F24 N64 O24 P8 W8 -","8","2","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0241","0.0191","","","0.0451","0.0466","","","","","","1.021","","","","has coordinates","241619","2020-10-21","18:00:00",""
"4131399","16.151","0.005","19.225","0.005","19.283","0.005","90","","93.851","0.009","90","","5974","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H35 Al2 F30 Fe S -","- C62 H35 Al2 F30 Fe S -","- C248 H140 Al8 F120 Fe4 S4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1426","0.0536","","","0.1212","0.1683","","","","","","1.021","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131400","10.504","0.002","23.922","0.005","24.325","0.005","90","","92.238","0.008","90","","6108","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H35 Al2 F30 Fe Te -","- C62 H35 Al2 F30 Fe Te -","- C248 H140 Al8 F120 Fe4 Te4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1386","0.0522","","","0.1096","0.1482","","","","","","0.987","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131401","10.481","0.004","11.448","0.005","24.317","0.009","92.704","0.017","101.94","0.015","92.541","0.018","2847","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.92 H16.04 B Cl0.12 F15 Fe0.5 O0.5 -","- C28.9215 H16.2965 B Cl0.125 F15 Fe0.5 O0.5 -","- C115.686 H65.186 B4 Cl0.5 F60 Fe2 O2 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1915","0.0735","","","0.165","0.2146","","","","","","0.988","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131402","10.592","0.002","13.454","0.003","14.36","0.003","83.346","0.006","89.68","0.006","81.366","0.006","2009.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 B F15 Fe O2 -","- C45 H35 B F15 Fe O2 -","- C90 H70 B2 F30 Fe2 O4 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1149","0.0539","","","0.1195","0.1444","","","","","","1.009","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131403","10.808","0.018","14.03","0.02","14.35","0.02","96.37","0.04","91.09","0.04","100.08","0.04","2128","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 Al F15 Fe O2 -","- C45 H35 Al F15 Fe O2 -","- C90 H70 Al2 F30 Fe2 O4 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.192","0.0706","","","0.1412","0.1988","","","","","","0.965","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131404","35.462","0.003","10.0966","0.0007","20.1865","0.0012","90","","102.362","0.005","90","","7060.1","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B F15 Fe -","- C38 H31 B F15 Fe -","- C304 H248 B8 F120 Fe8 -","8","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1279","0.0509","","","0.0872","0.1191","","","","","","0.995","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131405","9.7403","0.0007","28.1925","0.0017","14.3597","0.0009","90","","104.661","0.005","90","","3814.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 B F15 Fe O -","- C41 H32 B F15 Fe O -","- C164 H128 B4 F60 Fe4 O4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1213","0.0625","","","0.1373","0.1669","","","","","","1.054","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131406","28.889","0.009","10.185","0.003","29.105","0.008","90","","90.014","0.006","90","","8564","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H40 Al Cl2 F15 Fe O -","- C44.5 H40 Al Cl2 F15 Fe O -","- C356 H320 Al8 Cl16 F120 Fe8 O8 -","8","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.197","0.0947","","","0.2328","0.2834","","","","","","1.025","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131407","9.8079","0.0012","21.726","0.003","23.941","0.003","92.85","0.004","91.521","0.003","102.432","0.003","4972.1","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H53 B Cl F15 Fe N O -","- C53 H53 B Cl F15 Fe N O -","- C212 H212 B4 Cl4 F60 Fe4 N4 O4 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.0992","0.0678","","","0.1817","0.2034","","","","","","1.041","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131408","9.8874","0.0008","32.141","0.003","14.6181","0.0012","90","","102.973","0.005","90","","4526.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 Al F15 Fe N O -","- C47 H48 Al F15 Fe N O -","- C188 H192 Al4 F60 Fe4 N4 O4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1097","0.0528","","","0.1263","0.1574","","","","","","1.064","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131409","14.168","0.003","39.796","0.008","18.693","0.004","90","","99.024","0.014","90","","10409","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C106 H65 Al4 Cl F50 Fe2 O2 -","- C106 H65 Al4 Cl F50 Fe2 O2 -","- C424 H260 Al16 Cl4 F200 Fe8 O8 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.2056","0.0974","","","0.2126","0.2714","","","","","","1.019","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131410","16.026","0.003","12.948","0.002","23.926","0.004","90","","90.93","0.008","90","","4964.1","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.33 H20 Al1.33 F16.67 Fe0.67 Se0.67 -","- C33.3333 H20 Al1.33333 F16.6667 Fe0.666667 Se0.666667 -","- C200 H120 Al8 F100 Fe4 Se4 -","6","1.5","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1507","0.0613","","","0.1132","0.1443","","","","","","1.018","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131411","13.251","0.007","14.356","0.006","22.384","0.011","88.718","0.011","77.885","0.012","69.221","0.01","3886","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H21 Al1.5 Cl3 F15 Fe0.5 Te -","- C37 H21 Al1.5 Cl3 F15 Fe0.5 Te -","- C148 H84 Al6 Cl12 F60 Fe2 Te4 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.2495","0.1077","","","0.2061","0.2667","","","","","","1.054","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131412","9.41","0.002","20.391","0.005","21.371","0.005","95.423","0.006","95.582","0.006","97.223","0.006","4025.1","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H62 B2 Cl2 F30 Fe2 S7 -","- C77 H62 B2 Cl2 F30 Fe2 S7 -","- C154 H124 B4 Cl4 F60 Fe4 S14 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.198","0.079","","","0.1724","0.2185","","","","","","1.052","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131413","10.719","0.005","13.037","0.006","15.005","0.006","84.987","0.013","88.873","0.012","82.307","0.014","2070","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Al F20 Fe -","- C44 H30 Al F20 Fe -","- C88 H60 Al2 F40 Fe2 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1086","0.053","","","0.1134","0.1371","","","","","","1.01","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131414","16.7674","0.0009","5.6048","0.0003","17.3363","0.001","90","","95.623","0.005","90","","1621.39","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Addy, Partha Sarathi; Erickson, Sarah B.; Italia, James S.; Chatterjee, Abhishek","A Chemoselective Rapid Azo-Coupling Reaction (CRACR) for Unclickable Bioconjugation.","Journal of the American Chemical Society","2017","139","34","11670","11673","10.1021/jacs.7b05125","","","1.54178","CuKα","","0.0627","0.0413","","","0.102","0.1133","","","","","","1.019","","","","has coordinates","241622","2020-10-21","18:00:00",""
"4131415","12.015","0.017","16.37","0.02","22.31","0.03","77.9","0.02","88.71","0.04","89.63","0.03","4289","10","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C36 H63 N3 Si5 -","- C36 H63 N3 Si5 -","- C144 H252 N12 Si20 -","4","2","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.114","0.0975","","","0.2348","0.2445","","","","","","1.149","","","","has coordinates,has disorder","241623","2020-10-21","18:00:00",""
"4131416","12.8285","0.0006","22.1079","0.0009","21.956","0.0011","90","","95.129","0.002","90","","6202","0.5","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H70 B F15 N3 Si5 -","- C57 H70 B F15 N3 Si5 -","- C228 H280 B4 F60 N12 Si20 -","4","1","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.0535","0.0396","","","0.0817","0.0866","","","","","","1.082","","","","has coordinates,has disorder","241623","2020-10-21","18:00:00",""
"4131417","10.2747","0.0004","18.4172","0.0008","23.9282","0.001","90","","101.484","0.001","90","","4437.3","0.3","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 N3 O3 Si5 -","- C37 H63 N3 O3 Si5 -","- C148 H252 N12 O12 Si20 -","4","1","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.0801","0.0522","","","0.0963","0.1045","","","","","","1.084","","","","has coordinates","241623","2020-10-21","18:00:00",""
"4131418","10.7825","0.0006","11.3305","0.0005","17.614","0.0009","90","","93.1","0.003","90","","2148.77","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 B2 Cl2 N O4 -","- C16 H33 B2 Cl2 N O4 -","- C64 H132 B8 Cl8 N4 O16 -","4","1","","Smith, James R.; Collins, Beatrice S. L.; Hesse, Matthew J.; Graham, Mark A.; Myers, Eddie L.; Aggarwal, Varinder K.","Enantioselective Rhodium(III)-Catalyzed Markovnikov Hydroboration of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2017","139","27","9148","9151","10.1021/jacs.7b05149","","","0.71073","MoKα","","0.0716","0.0414","","","0.0884","0.1002","","","","","","1.018","","","","has coordinates,has disorder","241624","2020-10-21","18:00:00",""
"4131419","46.803","0.003","39.504","0.002","35.3743","0.0019","90","","109.002","0.001","90","","61840","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H144 Eu4 F36 N48 O63 S12 -","- C204 H144 Eu4 F36 N48 O63 S12 -","- C1632 H1152 Eu32 F288 N384 O504 S96 -","8","1","","Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu","Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.","Journal of the American Chemical Society","2017","139","36","12474","12479","10.1021/jacs.7b05157","","","0.7388","Synchrotron","","0.1353","0.1163","","","0.3439","0.3769","","","","","","1.727","","","","has coordinates","241625","2020-10-21","18:00:00",""
"4131420","9.6892","0.0011","10.0478","0.0009","11.9882","0.0011","89.402","0.008","77.36","0.008","89.745","0.008","1138.8","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C48 H74 N2 O6 -","2","2","","Loskot, Steven A.; Romney, David K.; Arnold, Frances H.; Stoltz, Brian M.","Enantioselective Total Synthesis of Nigelladine A via Late-Stage C-H Oxidation Enabled by an Engineered P450 Enzyme.","Journal of the American Chemical Society","2017","139","30","10196","10199","10.1021/jacs.7b05196","","","1.54178","CuKα","","0.0568","0.0497","","","0.1066","0.1114","","","","","","1.062","","","","has coordinates","241626","2020-10-21","18:00:00",""
"4131421","8.9337","0.00019","20.7978","0.0005","23.4696","0.0006","98.332","0.002","90.9598","0.0018","95.4335","0.0019","4293.21","0.18","100","0.9","100","0.9","","","","","","","","3","P -1","-P 1","2","","","","- C96 H118 Si4 -","- C96 H118 Si4 -","- C192 H236 Si8 -","2","1","","Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.","Tuning Singlet Fission in π-Bridge-π Chromophores.","Journal of the American Chemical Society","2017","139","36","12488","12494","10.1021/jacs.7b05204","","x-ray","1.54184","CuKα","","0.1162","0.0931","","","0.2452","0.2655","","","","","","1.074","","","","has coordinates,has disorder","241627","2020-10-21","18:00:00",""
"4131422","26.5637","0.0005","7.89746","0.00009","41.3109","0.0009","90","","106.605","0.002","90","","8305","0.3","99.8","0.5","99.8","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C91 H106 F6 Si4 -","- C91 H106 F6 Si4 -","- C364 H424 F24 Si16 -","4","0.5","","Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.","Tuning Singlet Fission in π-Bridge-π Chromophores.","Journal of the American Chemical Society","2017","139","36","12488","12494","10.1021/jacs.7b05204","","x-ray","1.54184","CuKα","","0.0781","0.0726","","","0.1983","0.2035","","","","","","1.107","","","","has coordinates,has disorder","241628","2020-10-21","18:00:00",""
"4131423","9.552","0.003","13.686","0.005","19.441","0.007","91.654","0.006","93.988","0.006","109.163","0.005","2391.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H69 N7 O Ru -","- C52 H69 N7 O Ru -","- C104 H138 N14 O2 Ru2 -","2","1","","Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B","Carbon-Nitrogen and Nitrogen-Nitrogen Bond Formation from Nucleophilic Attack at Coordinated Nitrosyls in Fe and Ru Heme Models.","Journal of the American Chemical Society","2017","139","28","9495","9498","10.1021/jacs.7b05209","","","0.71073","MoKα","","0.0635","0.048","","","0.112","0.1187","","","","","","1.02","","","","has coordinates","241629","2020-10-21","18:00:00",""
"4131424","9.9756","0.0001","15.5846","0.0002","13.3924","0.0002","90","","101.861","0.001","90","","2037.61","0.05","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 F3 P Pd -","- C19 H32 F3 P Pd -","- C76 H128 F12 P4 Pd4 -","4","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0387","0.0385","","","0.1051","0.1052","","","","","","1.125","","","","has coordinates","241630","2020-10-21","18:00:00",""
"4131425","16.80637","0.00013","14.39046","0.0001","18.03556","0.00014","90","","90","","90","","4361.93","0.06","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 F5 P Pd -","- C20 H32 F5 P Pd -","- C160 H256 F40 P8 Pd8 -","8","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0235","0.0235","","","0.0598","0.0598","","","","","","1.093","","","","has coordinates","241631","2020-10-21","18:00:00",""
"4131426","13.3804","0.0007","8.6034","0.0004","15.1757","0.0007","90","","97.065","0.002","90","","1733.72","0.15","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","VM549-1","","","- C14 H17 Br F3 N O3 S -","- C14 H17 Br F3 N O3 S -","- C56 H68 Br4 F12 N4 O12 S4 -","4","2","","Guisán-Ceinos, Manuel; Martín-Heras, Victor; Tortosa, Mariola","Regio- and Stereospecific Copper-Catalyzed Substitution Reaction of Propargylic Ammonium Salts with Aryl Grignard Reagents.","Journal of the American Chemical Society","2017","139","25","8448","8451","10.1021/jacs.7b05273","","","0.71073","MoKα","","0.0611","0.0426","","","0.1075","0.1205","","","","","","1.053","","","","has coordinates","241632","2020-10-21","18:00:00",""
"4131427","11.0798","0.0004","16.3858","0.0007","19.5188","0.0009","88.435","0.002","84.999","0.002","77.037","0.002","3440.1","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H20 Br3 N3 Si -","- C11 H20 Br3 N3 Si -","- C88 H160 Br24 N24 Si8 -","8","4","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0578","0.0428","","","0.0977","0.1049","","","","","","1.049","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131428","10.2224","0.0002","24.6439","0.0004","23.6839","0.0004","90","","95.701","0.001","90","","5936.93","0.18","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H94 N6 Si10 -","- C40 H94 N6 Si10 -","- C160 H376 N24 Si40 -","4","1","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0534","0.0378","","","0.0848","0.09","","","","","","1.018","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131429","20.3289","0.0013","13.9624","0.0009","22.7699","0.0016","90","","113.931","0.002","90","","5907.4","0.7","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H96 N6 Si10 -","- C40 H96 N6 Si10 -","- C160 H384 N24 Si40 -","4","1","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0417","0.0361","","","0.0843","0.0864","","","","","","1.095","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131430","14.2099","0.0003","18.1022","0.0003","24.359","0.0005","83.7821","0.0015","77.6045","0.0017","80.4089","0.0015","6017.1","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","(NacNacNMe2)Sc{NHB(NiPr)2C6H4}2","","- C45 H71 B2 N9 Sc -","- C45 H71 B2 N9 Sc -","- C180 H284 B8 N36 Sc4 -","4","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0789","0.0655","","0.0977","0.0784","0.0756","","","","","","1.0956","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131431","13.336","0.0004","12.8387","0.0005","19.8156","0.0005","90","","101.401","0.003","90","","3325.82","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{u-MeC(N(Dipp)CHC(CH2-)(NCH2CH2NMe2}Sc{NHB(NiPr)2C6H4}]2","","- C66 H104 B2 N12 Sc2 -","- C66 H104 B2 N12 Sc2 -","- C132 H208 B4 N24 Sc4 -","2","0.5","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.54184","CuKα","","0.0576","0.0503","","0.0682","0.0587","0.0572","","","","","","1.1239","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131432","12.5904","0.0004","13.5664","0.0003","18.3909","0.0005","104.758","0.002","99.499","0.002","106.159","0.002","2821.95","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","","(NacNacNMe2)Sc(Me){NHB(NDippCH)2}","","- C48 H74 B N6 Sc -","- C48 H74 B N6 Sc -","- C96 H148 B2 N12 Sc2 -","2","1","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0417","0.0392","","0.025","0.0241","0.0238","","","","","","1.0447","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131433","24.865","0.0007","43.9807","0.0009","11.0806","0.0003","90","","122.244","0.004","90","","10248.8","0.6","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{MeC(NC6H3iPrCH(Me)CH2)CHC(Me)(NCH2CH2NMe}Sc{NHB(NDippCH)2}","","- C47 H70 B N6 Sc -","- C47 H70 B N6 Sc -","- C376 H560 B8 N48 Sc8 -","8","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0852","0.0781","","0.0773","0.0755","0.0746","","","","","","1.045","","","","has coordinates,has disorder","241634","2020-10-21","18:00:00",""
"4131434","11.5957","0.0001","38.8679","0.0003","12.4206","0.0001","90","","109.223","0.0009","90","","5285.85","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(NacNacNMe2)Sc{N(B(NDippCH)2)C(Me)C(Ph)}","","- C56 H78 B N6 Sc -","- C56 H78 B N6 Sc -","- C224 H312 B4 N24 Sc4 -","4","1","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.035","0.0345","","0.0157","0.0157","0.0156","","","","","","1.0262","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131435","7.8083","0.0011","7.8083","0.0011","37.905","0.008","90","","90","","120","","2001.4","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs4 P4 Se12 Sn -","- Cs4 P3.96 Se11.988 Sn -","- Cs12 P11.88 Se35.964 Sn3 -","3","0.166667","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.093","0.0566","","","0.1085","0.1241","","","","","","1.054","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131436","10.2296","0.0014","12.9904","0.0011","10.9495","0.0015","90","","94.529","0.011","90","","1450.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 P2 Se6 Sn -","- Cs2 P2 Se6 Sn -","- Cs8 P8 Se24 Sn4 -","4","1","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","x-ray","0.71073","MoKα","","0.0973","0.0691","","","0.1456","0.1488","","","","3.71","3.71","3.17","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131437","7.6953","0.0011","7.6953","0.0011","18.797","0.004","90","","90","","120","","964","0.3","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs4 P4 Se20 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","1","0.0833333","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.0473","0.0397","","","0.0837","0.0865","","","","","","1.238","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131438","67.017","0.003","31.4138","0.0015","32.1376","0.0017","90","","90","","90","","67658","6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C2344 H2320 Cl72 N264 O400.8 Ru24 -","4","0.5","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1581","0.1203","","","0.3444","0.3671","","","","","","1.306","","","","has coordinates,has disorder","241636","2020-10-21","18:00:00",""
"4131439","15.653","0.0014","16.8518","0.0017","21.323","0.003","97.556","0.004","101.633","0.004","117.144","0.003","4738.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H93 Cl6 N11 O14 -","- C97 H93 Cl6 N11 O14 -","- C194 H186 Cl12 N22 O28 -","2","1","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1543","0.1114","","","0.3108","0.3323","","","","","","1.962","","","","has coordinates,has disorder","241637","2020-10-21","18:00:00",""
"4131440","15.4705","0.0005","18.2238","0.0005","46.4128","0.0014","90","","90","","90","","13085.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Br N O12 -","- C136 H182 Br N O12 -","- C544 H728 Br4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0533","0.0476","","","0.1218","0.126","","","","","","1.068","","","","has coordinates,has disorder","241638","2020-10-21","18:00:00",""
"4131441","15.4726","0.0002","18.2043","0.0003","46.434","0.0007","90","","90","","90","","13079","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Cl N O12 -","- C136 H182 Cl N O12 -","- C544 H728 Cl4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0624","0.0499","","","0.1201","0.1276","","","","","","1.029","","","","has coordinates,has disorder","241639","2020-10-21","18:00:00",""
"4131442","15.6487","0.0004","18.7136","0.0004","43.2272","0.001","90","","90","","90","","12658.8","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.37 H171.94 Br0.4 F0.4 O12 -","- C130.364 H171.94 Br0.394 F0.394 O12 -","- C521.456 H687.76 Br1.576 F1.576 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0846","0.0572","","","0.1366","0.1499","","","","","","1.027","","","","has coordinates,has disorder","241640","2020-10-21","18:00:00",""
"4131443","46.4365","0.0004","18.25356","0.00012","15.48278","0.0001","90","","90","","90","","13123.7","0.17","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0788","0.0729","","","0.216","0.223","","","","","","1.031","","","","has coordinates,has disorder","241641","2020-10-21","18:00:00",""
"4131444","15.6223","0.0002","18.7222","0.0003","43.2981","0.0007","90","","90","","90","","12664","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.29 H171.82 Br0.38 F0.38 O12 -","- C130.292 H171.82 Br0.382 F0.382 O12 -","- C521.168 H687.28 Br1.528 F1.528 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.1199","0.0771","","","0.1918","0.2152","","","","","","1.013","","","","has coordinates,has disorder","241642","2020-10-21","18:00:00",""
"4131445","15.4705","0.0003","18.2782","0.0003","46.1154","0.001","90","","90","","90","","13040.2","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 F N O12 -","- C136 H182 F N O12 -","- C544 H728 F4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0865","0.0692","","","0.1721","0.1812","","","","","","1.375","","","","has coordinates,has disorder","241643","2020-10-21","18:00:00",""
"4131446","15.4629","0.0001","18.2211","0.0001","46.7056","0.0003","90","","90","","90","","13159.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0568","0.0489","","","0.1294","0.1361","","","","","","1.042","","","","has coordinates,has disorder","241644","2020-10-21","18:00:00",""
"4131447","15.4654","0.0002","18.2121","0.0002","46.7197","0.0005","90","","90","","90","","13158.9","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0787","0.0542","","","0.119","0.1587","","","","","","1.115","","","","has coordinates,has disorder","241645","2020-10-21","18:00:00",""
"4131448","15.4505","0.0001","18.1775","0.0002","46.8762","0.0004","90","","90","","90","","13165.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0405","0.0354","","","0.0863","0.0887","","","","","","1.023","","","","has coordinates,has disorder","241646","2020-10-21","18:00:00",""
"4131449","15.4375","0.0001","18.2003","0.0001","46.462","0.0003","90","","90","","90","","13054.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 I N O12 -","- C136 H182 I N O12 -","- C544 H728 I4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0497","0.0446","","","0.1194","0.1233","","","","","","1.045","","","","has coordinates,has disorder","241647","2020-10-21","18:00:00",""
"4131450","15.4969","0.0001","18.2403","0.0001","46.6272","0.0003","90","","90","","90","","13180","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C138 H187 N O12 -","- C138 H187 N O12 -","- C552 H748 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0807","0.057","","","0.1351","0.1826","","","","","","1.128","","","","has coordinates,has disorder","241648","2020-10-21","18:00:00",""
"4131451","9.779","0.003","16.542","0.006","6.543","0.003","90","","90","","90","","1058.4","0.7","100","2","100","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C14 H12 N P -","- C14 H11 N0.5 P0.5 -","- C56 H44 N2 P2 -","4","0.25","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0414","0.0361","","","0.0879","0.0908","","","","","","1.058","","","","has coordinates,has disorder","241649","2020-10-21","18:00:00",""
"4131452","21.9571","0.0006","11.9882","0.0003","4.8706","0.0001","90","","90","","90","","1282.07","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H24 N P -","- C13 H24 N P -","- C52 H96 N4 P4 -","4","0.5","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0327","0.0303","","","0.0836","0.0863","","","","","","1.064","","","","has coordinates,has disorder","241650","2020-10-21","18:00:00",""
"4131453","9.9421","0.0017","18.521","0.003","10.742","0.0019","90","","90","","90","","1978","0.6","123","2","123","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C28 H27 -","- C28 H27 -","- C112 H108 -","4","0.5","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0454","0.0411","","","0.1125","0.117","","","","","","1.053","","","","has coordinates","241651","2020-10-21","18:00:00",""
"4131454","11.072","0.003","10.956","0.003","11.177","0.003","90","","94.804","0.008","90","","1351.1","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H34 B -","- C37 H34 B -","- C74 H68 B2 -","2","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0832","0.0354","","","0.0743","0.0842","","","","","","0.815","","","","has coordinates","241652","2020-10-21","18:00:00",""
"4131455","11.905","0.003","9.727","0.002","26.288","0.006","90","","90","","90","","3044.1","1.2","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H42 B -","- C41 H42 B -","- C164 H168 B4 -","4","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.1056","0.0589","","","0.1137","0.1362","","","","","","1.049","","","","has coordinates","241653","2020-10-21","18:00:00",""
"4131456","18.4342","0.001","19.3195","0.0012","21.7657","0.0012","90","","90","","90","","7751.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H60 N2 Ni Si2 -","- C37 H60 N2 Ni Si2 -","- C296 H480 N16 Ni8 Si16 -","8","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","","0.71073","MoKα","","0.0768","0.0422","","","0.0847","0.0979","","","","","","1.019","","","","has coordinates","241654","2020-10-21","18:00:00",""
"4131457","11.9002","0.0017","11.0146","0.0015","18.542","0.002","90","","97.281","0.003","90","","2410.8","0.5","173","2","173","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 N2 Ni Si2 -","- C19 H40 N2 Ni Si2 -","- C76 H160 N8 Ni4 Si8 -","4","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","x-ray","0.71073","MoKα","","0.0986","0.0762","","","0.1163","0.1247","","","","","","1.235","","","","has coordinates","241655","2020-10-21","18:00:00",""
"4131458","9.3283","0.0007","17.1662","0.0013","18.2968","0.0014","72.69","0.002","88.651","0.002","80.555","0.002","2758.3","0.4","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C23 H44 N4 Ni Si -","- C23 H44 N4 Ni Si -","- C92 H176 N16 Ni4 Si4 -","4","2","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","x-ray","0.71073","MoKα","","0.0901","0.0492","","","0.0784","0.0889","","","","","","1.034","","","","has coordinates","241656","2020-10-21","18:00:00",""
"4131459","15.1112","0.0006","9.7018","0.0002","19.4687","0.0006","90","","105.319","0.004","90","","2752.81","0.16","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C116 H128 N8 O16 S4 -","4","2","","Spoehrle, Stéphanie S M; West, Thomas H.; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem Palladium and Isothiourea Relay Catalysis: Enantioselective Synthesis of α-Amino Acid Derivatives via Allylic Amination and [2,3]-Sigmatropic Rearrangement.","Journal of the American Chemical Society","2017","139","34","11895","11902","10.1021/jacs.7b05619","","","1.54187","CuKα","","0.0863","0.0667","","","0.1734","0.1997","","","","","","0.854","","","","has coordinates","241657","2020-10-21","18:00:00",""
"4131460","9.9648","0.0002","34.1529","0.0006","13.0537","0.0002","90","","106.465","0.001","90","","4260.35","0.13","150","0.1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 Pd -","- C10 H12 N4 Pd -","- C160 H192 N64 Pd16 -","16","4","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0523","0.0423","","","0.1038","0.1087","","","","","","1.07","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131461","10.6656","0.0004","19.2667","0.0008","16.5845","0.0006","90","","90.872","0.002","90","","3407.6","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 Pd -","- C12 H12 N4 Pd -","- C144 H144 N48 Pd12 -","12","1.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","x-ray","0.71073","MoKα","","0.0607","0.0496","","","0.1185","0.1345","","","","","","1.244","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131462","9.5134","0.0005","10.8285","0.0005","16.8791","0.0009","103.211","0.002","94.076","0.002","93.172","0.002","1683.92","0.15","150","0.1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N4 Pd Yb -","- C37 H50 N4 Pd Yb -","- C74 H100 N8 Pd2 Yb2 -","2","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0152","0.0149","","","0.0401","0.0403","","","","","","1.012","","","","has coordinates,has disorder","241658","2020-10-21","18:00:00",""
"4131463","10.2105","0.0003","16.5219","0.0006","21.1056","0.0005","90","","90.146","0.002","90","","3560.44","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N4 Pd Yb -","- C32 H42 N4 Pd Yb -","- C128 H168 N16 Pd4 Yb4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0704","0.0561","","","0.1249","0.134","","","","","","1.083","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131464","13.4366","0.0004","17.8758","0.0003","19.6295","0.0005","90","","108.193","0.001","90","","4479.12","0.19","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 I N4 O Pd Yb -","- C36 H51 I N4 O Pd Yb -","- C144 H204 I4 N16 O4 Pd4 Yb4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0481","0.0409","","","0.1108","0.1168","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131465","10.4545","0.0005","17.5951","0.0007","13.9967","0.0008","90","","110.081","0.002","90","","2418.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I2 N8 Pd2 -","- C22 H18 I2 N8 Pd2 -","- C88 H72 I8 N32 Pd8 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.1032","0.0823","","","0.1975","0.215","","","","","","1.08","","","","has coordinates,has disorder","241658","2020-10-21","18:00:00",""
"4131466","27.1623","0.0009","12.2012","0.0005","15.2011","0.0005","90","","90","","90","","5037.8","0.3","150","0.1","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H69 I N4 Pd Yb -","- C31 H45 I N4 Pd Yb -","- C124 H180 I4 N16 Pd4 Yb4 -","4","0.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0548","0.0412","","","0.116","0.1224","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131467","6.936","0.0003","14.4872","0.0007","14.8067","0.0006","90","","94.349","0.003","90","","1483.54","0.11","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 I N4 Pd -","- C13 H15 I N4 Pd -","- C52 H60 I4 N16 Pd4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0737","0.0439","","","0.0947","0.1067","","","","","","1.005","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131468","14.897","0.0007","8.3746","0.0004","11.6722","0.0006","90","","105.645","0.002","90","","1402.23","0.12","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 I N4 Pd -","- C11 H15 I N4 Pd -","- C44 H60 I4 N16 Pd4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0338","0.0291","","","0.0775","0.0817","","","","","","1.037","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131469","7.912","0.002","11.836","0.003","13.51","0.004","81.434","0.008","88.885","0.009","78.74","0.006","1226.9","0.6","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0406","","","","0.1034","","","","","","1.044","","","","has coordinates","241659","2020-10-21","18:00:00",""
"4131470","8.156","0.004","13.965","0.006","22.5205","0.001","90","","94.157","0.008","90","","2558.3","1.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N2 O2 S2 Si4 -","- C20 H26 N2 O2 S2 Si4 -","- C80 H104 N8 O8 S8 Si16 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0501","","","","0.1128","","","","","","1.097","","","","has coordinates","241660","2020-10-21","18:00:00",""
"4131471","23.3109","0.0009","23.5067","0.0008","24.241","0.0009","111.063","0.0009","100.297","0.001","92.7909","0.0011","12103.5","0.8","93","","93","","","","","","","","","10","P -1","-P 1","2","","","","- C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8 -","- C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8 -","- C502 H468 Ag8 Cl12 F48 N16 O12 S8 Sb8 Si16 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","0.1799","0.1052","","","0.2923","0.3406","","","","","","1.056","","","","has coordinates","241661","2020-10-21","18:00:00",""
"4131472","8.327","0.005","11.182","0.006","14.842","0.009","74.592","0.016","88.77","0.03","79.46","0.03","1309.3","1.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N2 S2 Si4 -","- C20 H32 N2 S2 Si4 -","- C40 H64 N4 S4 Si8 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.7107","MoKα","","","0.0798","","","","0.2085","","","","","","1.09","","","","has coordinates","241662","2020-10-21","18:00:00",""
"4131473","6.8068","0.0005","13.8764","0.001","11.7221","0.0008","90","","97.501","0.005","90","","1097.72","0.14","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 S2 Si4 -","- C16 H28 S2 Si4 -","- C32 H56 S4 Si8 -","2","0.5","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.7107","MoKα","","","0.0395","","","","0.083","","","","","","1.099","","","","has coordinates","241663","2020-10-21","18:00:00",""
"4131474","7.911","0.003","11.84","0.005","13.499","0.006","81.369","0.011","88.853","0.012","78.737","0.01","1226","0.9","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0896","","","","0.2435","","","","","","1.055","","","","has coordinates","241664","2020-10-21","18:00:00",""
"4131475","8.437","0.003","11.874","0.004","23.696","0.008","90","","98.704","0.004","90","","2346.5","1.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N2 S2 Si4 -","- C18 H28 N2 S2 Si4 -","- C72 H112 N8 S8 Si16 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","0.0414","0.0364","","","0.0869","0.0904","","","","","","1.062","","","","has coordinates","241665","2020-10-21","18:00:00",""
"4131476","24.1978","0.0008","13.0182","0.0004","15.5051","0.0006","90","","120.318","0.0014","90","","4216.3","0.3","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H62 Li2 O4 -","- C50 H62 Li2 O4 -","- C200 H248 Li8 O16 -","4","0.5","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","","0.1013","","","","0.1367","","","","","","1.078","","","","has coordinates","241666","2020-10-21","18:00:00",""
"4131477","22.1584","0.0008","8.1173","0.0003","15.404","0.0005","90","","108.436","0.002","90","","2628.46","0.16","123","","123","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 -","- C36 H34 -","- C144 H136 -","4","0.5","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","","0.0953","","","","0.1358","","","","","","0.843","","","","has coordinates","241667","2020-10-21","18:00:00",""
"4131478","8.05357","0.00015","16.8194","0.0003","21.1151","0.0004","77.4803","0.0007","89.0213","0.0007","79.9661","0.0007","2748.82","0.09","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C72.5 H69 Cl -","- C72.5 H69 Cl -","- C145 H138 Cl2 -","2","1","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","0.0674","0.0506","","","0.1391","0.1567","","","","","","1.132","","","","has coordinates,has disorder","241668","2020-10-21","18:00:00",""
"4131479","12.941","0.0007","12.5206","0.0008","16.3057","0.001","90","","106.164","0.0016","90","","2537.6","0.3","123","","123","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 -","- C34 H32 -","- C136 H128 -","4","1","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","0.71075","MoKα","","","0.0543","","","","0.0801","","","","","","2.014","","","","has coordinates","241669","2020-10-21","18:00:00",""
"4131480","12.8242","0.0002","16.9411","0.0003","19.1569","0.0003","76.451","0.001","83.436","0.001","69.514","0.001","3787.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C82 H61 B F24 N O4 P2 Rh -","- C82 H61 B F24 N O4 P2 Rh -","- C164 H122 B2 F48 N2 O8 P4 Rh2 -","2","1","","Coxon, Thomas J.; Fernández, Maitane; Barwick-Silk, James; McKay, Alasdair I.; Britton, Louisa E.; Weller, Andrew S.; Willis, Michael C.","Exploiting Carbonyl Groups to Control Intermolecular Rhodium-Catalyzed Alkene and Alkyne Hydroacylation.","Journal of the American Chemical Society","2017","139","29","10142","10149","10.1021/jacs.7b05713","","x-ray","1.54184","CuKα","","0.0284","0.0272","","","0.0701","0.0713","","","","","","1.017","","","","has coordinates,has disorder","241670","2020-10-21","18:00:00",""
"4131481","6.8696","0.0003","8.582","0.0003","9.9548","0.0004","105.668","0.003","98.054","0.003","98.994","0.002","547.78","0.04","100","","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H9 N -","- C17 H9 N -","- C34 H18 N2 -","2","1","","Cueny, Eric S.; Johnson, Heather C.; Anding, Bernie J.; Landis, Clark R.","Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.","Journal of the American Chemical Society","2017","139","34","11903","11912","10.1021/jacs.7b05729","","x-ray","1.54178","CuKα","K-L~3~","0.0374","0.0363","","","0.112","0.1136","","","","","","1.065","","","","has coordinates","241671","2020-10-21","18:00:00",""
"4131482","12.8398","0.0009","19.9194","0.0014","25.2286","0.0017","84.759","0.003","83.894","0.003","77.729","0.003","6253.6","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","[LCu(OOCm)][NEt4]","","","- C132 H184 Cu2 N8 O16 -","- C132 H184 Cu2 N8 O16 -","- C264 H368 Cu4 N16 O32 -","2","1","","Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.","Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.","Journal of the American Chemical Society","2017","139","30","10220","10223","10.1021/jacs.7b05754","","","1.54178","CuKα","","0.0605","0.0519","","","0.137","0.1469","","","","","","1.036","","","","has coordinates,has disorder","241672","2020-10-21","18:00:00",""
"4131483","10.9539","0.0002","13.0791","0.0002","15.0451","0.0003","90","","92.883","0.001","90","","2152.74","0.07","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","[LCu(OOtBu)][NEt4]","","","- C21.5 H33 Cu0.5 N2 O2.5 -","- C21.5 H33 Cu0.5 N2 O2.5 -","- C86 H132 Cu2 N8 O10 -","4","1","","Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.","Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.","Journal of the American Chemical Society","2017","139","30","10220","10223","10.1021/jacs.7b05754","","","1.54178","CuKα","","0.0697","0.058","","","0.1526","0.1626","","","","","","1.045","","","","has coordinates,has disorder","288473","2023-12-21","14:16:42",""
"4131484","31.3706","0.0016","31.5616","0.0016","33.5735","0.0015","65.91","0.002","67.466","0.002","62.464","0.003","26120","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C526 H317 F24 Fe4 N48 Ni6 O24.5 S8 -","- C518.05 H311 F6.6 Fe4 N48 Ni6 O7.7 S2.3 -","- C1036.1 H622 F13.2 Fe8 N96 Ni12 O15.4 S4.6 -","2","1","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","synchrotron","","0.2004","0.131","","","0.3251","0.3751","","","","","","1.126","","","","has coordinates,has disorder","241674","2020-10-21","18:00:00",""
"4131485","38.8188","0.0008","38.8188","0.0008","111.372","0.003","90","","90","","120","","145342","6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C435 H344.5 B8 F32 Fe4 N54.5 Ni6 O13 -","- C434.995 H344.5 B3 F12 Fe4 N54.5001 Ni6 O13.0002 -","- C5219.94 H4134.01 B36 F144 Fe48 N654.001 Ni72 O156.002 -","12","0.333333","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","Synchrotron","","0.1546","0.1424","","","0.3763","0.3879","","","","","","1.148","","","","has coordinates,has disorder","241675","2020-10-21","18:00:00",""
"4131486","11.6264","0.0018","16.274","0.002","17.868","0.003","64.226","0.005","82.203","0.005","78.775","0.005","2981.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","WH","","","- C125 H138 Cl N4 P4 Pt2 S10 -","- C125 H138.008 Cl N4 P4 Pt2 S10 -","- C125 H138.008 Cl N4 P4 Pt2 S10 -","1","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Zhang, Zhen; Mejiaortega, Luis E.; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","""Roller-Wheel""-Type Pt-Containing Small Molecules and the Impact of ""Rollers"" on Material Crystallinity, Electronic Properties, and Solar Cell Performance.","Journal of the American Chemical Society","2017","139","40","14109","14119","10.1021/jacs.7b05801","","","0.71073","MoKα","","0.1785","0.066","","","0.1335","0.1724","","","","","","0.974","","","","has coordinates,has disorder","241676","2020-10-21","18:00:00",""
"4131487","26.85","0.005","12.056","0.002","36.707","0.007","90","","109.18","0.03","90","","11223","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H76 F6 N14 O7.5 -","- C44 H76 F6 N14 O7.5 -","- C352 H608 F48 N112 O60 -","8","4","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0977","0.0656","","","0.152","0.1689","","","","","","0.966","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131488","12.085","0.002","16.11","0.003","16.872","0.003","108.71","0.03","104.35","0.03","97.82","0.03","2929.8","1.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H79 F6 N14 O7 S -","- C45 H79 F6 N14 O7 S -","- C90 H158 F12 N28 O14 S2 -","2","2","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0763","0.0754","","","0.1771","0.1795","","","","","","1.124","","","","has coordinates","241678","2020-10-21","18:00:00",""
"4131489","13.9547","0.0003","16.1574","0.0003","22.4255","0.0016","90","","90","","90","","5056.3","0.4","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H85 N13 O9 -","- C42 H85 N13 O9 -","- C168 H340 N52 O36 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54187","CuKα","","0.0365","0.0343","","","0.0826","0.0844","","","","","","1.074","","","","has coordinates","241679","2020-10-21","18:00:00",""
"4131490","9.799","0.002","21.455","0.004","24.701","0.005","90","","90","","90","","5193.1","1.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H64 F6 N12 O8 -","- C37 H64 F6 N12 O8 -","- C148 H256 F24 N48 O32 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0626","0.0455","","","0.1132","0.119","","","","","","1.018","","","","has coordinates,has disorder","241680","2020-10-21","18:00:00",""
"4131491","15.2126","0.0008","15.6715","0.0005","23.6347","0.0008","90","","90","","90","","5634.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H78 F6 N14 O6 S -","- C46 H78 F6 N14 O6 S -","- C184 H312 F24 N56 O24 S4 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.5418","CuKα","","0.1131","0.0986","","","0.2249","0.2685","","","","","","1.121","","","","has coordinates","241681","2020-10-21","18:00:00",""
"4131492","6.509","0.003","23.099","0.009","13.865","0.006","90","","91.342","0.006","90","","2084.1","1.5","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O3 Si -","- C21 H32 N2 O3 Si -","- C84 H128 N8 O12 Si4 -","4","1","","Cheng, Qing-Qing; Lankelma, Marianne; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Divergent Rhodium-Catalyzed Cyclization Reactions of Enoldiazoacetamides with Nitrosoarenes.","Journal of the American Chemical Society","2017","139","29","9839","9842","10.1021/jacs.7b05840","","","0.71075","MoKα","","0.0688","0.0624","","","0.1349","0.1403","","","","","","1.061","","","","has coordinates","241682","2020-10-21","18:00:00",""
"4131493","25.138","0.006","6.5629","0.0016","17.174","0.004","90","","108.297","0.005","90","","2690.1","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","2","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.1181","0.0613","","","0.1392","0.1621","","","","","","1.072","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4131494","8.6883","0.0006","8.9079","0.0006","12.8744","0.0009","100.18","0.002","99.217","0.003","109.994","0.002","895.01","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C48 H30 F6 O4 -","2","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","1.54178","CuKα","","0.0349","0.0339","","","0.089","0.09","","","","","","1.048","","","","has coordinates","241684","2020-10-21","18:00:00",""
"4131495","20.087","0.005","8.0724","0.0018","19.633","0.005","90","","90","","90","","3183.5","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H15 Br O2 -","- C19 H15 Br O2 -","- C152 H120 Br8 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0786","0.0412","","","0.0969","0.1101","","","","","","1.034","","","","has coordinates","241685","2020-10-21","18:00:00",""
"4131496","28.482","0.008","7.523","0.002","17.072","0.005","90","","90","","90","","3658","1.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C192 H120 F24 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0903","0.0611","","","0.1407","0.155","","","","","","1.068","","","","has coordinates","241686","2020-10-21","18:00:00",""
"4131497","9.6975","0.0008","9.1414","0.0008","18.7257","0.0016","90","","92.867","0.002","90","","1657.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0572","0.0398","","","0.0932","0.1024","","","","","","1.019","","","","has coordinates","241687","2020-10-21","18:00:00",""
"4131498","28.897","0.005","6.4009","0.0009","17.085","0.003","90","","104.057","0.006","90","","3065.5","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","1.54178","CuKα","","0.0408","0.0333","","","0.0914","0.0941","","","","","","1.03","","","","has coordinates","241688","2020-10-21","18:00:00",""
"4131499","10.505","0.005","15.956","0.007","7.986","0.004","90","","98.052","0.01","90","","1325.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br O2 -","- C17 H11 Br O2 -","- C68 H44 Br4 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0453","0.031","","","0.0737","0.0785","","","","","","1.022","","","","has coordinates","241689","2020-10-21","18:00:00",""
"4131500","9.573","0.003","17.291","0.005","10.693","0.003","90","","112.066","0.007","90","","1640.3","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.1271","0.0943","","","0.2759","0.3046","","","","","","1.082","","","","has coordinates","241691","2020-10-21","18:00:00",""
"4131501","10.7155","0.0008","8.5011","0.0005","17.9927","0.0013","90","","90.07","0.002","90","","1639","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0588","0.0368","","","0.079","0.0876","","","","","","1.009","","","","has coordinates","241692","2020-10-21","18:00:00",""
"4131502","9.6878","0.0006","23.1088","0.0014","9.8408","0.0006","90","","117.347","0.0018","90","","1956.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Yu, Diana; Painter, Phillip P.; Fisher, Ethan L.; Tantillo, Dean J.; Sarpong, Richmond; Hein, Jason E.","Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.","Journal of the American Chemical Society","2017","139","30","10569","10577","10.1021/jacs.7b06007","","x-ray","0.71073","MoKα","","0.0599","0.043","","","0.0998","0.1099","","","","","","1.032","","","","has coordinates","241693","2020-10-21","18:00:00",""
"4131503","28.1144","0.001","17.0847","0.0005","10.0476","0.0003","90","","97.743","0.002","90","","4782.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SMHVI-hydrazone","sarpong66","","- C21.05 H24.05 N2 O4 S -","- C21.052 H24.052 N2 O4 S -","- C168.416 H192.416 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Yu, Diana; Painter, Phillip P.; Fisher, Ethan L.; Tantillo, Dean J.; Sarpong, Richmond; Hein, Jason E.","Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.","Journal of the American Chemical Society","2017","139","30","10569","10577","10.1021/jacs.7b06007","","","1.54178","CuKα","","0.0599","0.0539","","","0.1644","0.1695","","","","","","1.058","","","","has coordinates","241694","2020-10-21","18:00:00",""
"4131504","9.821","0.002","9.821","0.002","8.2067","0.0016","90","","90","","120","","685.5","0.2","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C6 H14 I3 N2 Rb -","- C6 H14 I3 N2 Rb -","- C12 H28 I6 N4 Rb2 -","2","0.166667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0284","0.0279","","","0.0609","0.0611","","","","","","1.052","","","","has coordinates","241695","2020-10-21","18:00:00",""
"4131505","6.635","0.007","6.635","0.007","6.635","0.007","90","","90","","90","","292.1","0.5","458","2","458","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H14 Cl3 N2 Rb -","- C10.6668 Cl3 Rb -","- C10.6668 Cl3 Rb -","1","0.0208333","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0648","0.0648","","","0.192","0.192","","","","","","1.032","","","","has coordinates","241696","2020-10-21","18:00:00",""
"4131506","6.798","0.002","6.798","0.002","6.798","0.002","90","","90","","90","","314.15","0.16","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H14 Br3 N2 Rb -","- C10.6668 Br3 Rb -","- C10.6668 Br3 Rb -","1","0.0208333","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0702","0.067","","","0.1401","0.1426","","","","","","1.033","","","","has coordinates","241697","2020-10-21","18:00:00",""
"4131507","9.6444","0.0014","9.6444","0.0014","23.254","0.005","90","","90","","120","","1873.2","0.6","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N2 Rb -","- C6 H14 Br3 N2 Rb -","- C36 H84 Br18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.104","0.0652","","","0.1127","0.1241","","","","","","1.11","","","","has coordinates","241698","2020-10-21","18:00:00",""
"4131508","9.401","0.003","9.401","0.003","22.513","0.008","90","","90","","120","","1723.1","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl3 N2 Rb -","- C6 H14 Cl3 N2 Rb -","- C36 H84 Cl18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0517","0.0349","","","0.074","0.0809","","","","","","1.016","","","","has coordinates","241699","2020-10-21","18:00:00",""
"4131509","7.3827","0.0009","7.3827","0.0009","7.3827","0.0009","90","","90","","90","","402.39","0.08","293","2","293","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C7 H16 I3 N2 Rb -","- C9.36 I3 Rb -","- C9.36 I3 Rb -","1","0.0416667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.1362","0.1057","","","0.2868","0.3184","","","","","","1.246","","","","has coordinates","241700","2020-10-21","18:00:00",""
"4131510","7.272","0.003","7.272","0.003","7.272","0.003","84.81","0.003","84.81","0.003","84.81","0.003","380.1","0.3","273","2","273","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C0.3 H0.7 I0.13 N0.09 Rb0.04 -","- C0.304348 H0.695652 I0.130435 N0.0869565 Rb0.0434783 -","- C7 H16 I3 N2 Rb -","23","7.66667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.026","0.0249","","","0.0538","0.054","","","","","","0.942","","","","has coordinates","241701","2020-10-21","18:00:00",""
"4131511","13.7541","0.001","16.5763","0.0012","16.6586","0.0012","90","","104.083","0.003","90","","3683.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","rt002","","","- C43 H40 Au Cl N4 -","- C43 H40 Au Cl N4 -","- C172 H160 Au4 Cl4 N16 -","4","2","","Bohan, Patrick T.; Toste, F. Dean","Well-Defined Chiral Gold(III) Complex Catalyzed Direct Enantioconvergent Kinetic Resolution of 1,5-Enynes.","Journal of the American Chemical Society","2017","139","32","11016","11019","10.1021/jacs.7b06025","","","0.71073","MoKα","","0.0125","0.012","","","0.0269","0.027","","","","","","1.022","","","","has coordinates","241702","2020-10-21","18:00:00",""
"4131512","8.4267","0.0012","46.351","0.005","8.4298","0.001","90","","90","","90","","3292.6","0.7","293","","293","","","","","","","","","5","C 2 e b","C -2ac 2","41","Ethylammonium Lead Bromide","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32 Br10 N4 Pb3 -","- C32 H128 Br40 N16 Pb12 -","4","0.5","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.","Journal of the American Chemical Society","2017","139","34","11956","11963","10.1021/jacs.7b06143","","x-ray","0.71073","MoKα","","0.1496","0.0964","","","0.1753","0.1854","","","","3.85","3.85","3.14","","","","has coordinates","241703","2020-10-21","18:00:00",""
"4131513","8.024","0.008","45.498","0.007","8.08","0.03","90","","90","","90","","2950","11","293","","293","","","","","","","","","5","A 21 m a","A -2a 2a","36","Ethylammonium Lead Chloride","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H32 Cl10 N4 Pb3 -","- C32 H128 Cl40 N16 Pb12 -","4","0.5","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.","Journal of the American Chemical Society","2017","139","34","11956","11963","10.1021/jacs.7b06143","","x-ray","0.71073","MoKα","","0.1124","0.0762","","","0.1384","0.1441","","","","2.99","2.99","2.5","","","","has coordinates","241703","2020-10-21","18:00:00",""
"4131514","9.8811","0.001","14.3028","0.0015","15.0389","0.0016","90","","90","","90","","2125.4","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","H-D-Pro-Pip-Glu-NH2","","- C18 H27 F3 N4 O7 -","- C18 H27 F3 N4 O7 -","- C72 H108 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0427","0.0339","","","0.0726","0.0783","","","","","","1.039","","","","has coordinates","241704","2020-10-21","18:00:00",""
"4131515","9.7372","0.0011","14.0027","0.0018","14.923","0.0018","90","","90","","90","","2034.7","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 N4 O7 -","- C17 H25 F3 N4 O7 -","- C68 H100 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0351","0.0293","","","0.0667","0.0704","","","","","","1.077","","","","has coordinates,has disorder","241705","2020-10-21","18:00:00",""
"4131516","5.64157","0.00013","17.0712","0.0003","17.5424","0.0005","90","","90.6571","0.0015","90","","1689.37","0.07","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 B Cl O2 -","- C19 H16 B Cl O2 -","- C76 H64 B4 Cl4 O8 -","4","1","","Nogami, Marina; Hirano, Keiichi; Kanai, Misae; Wang, Chao; Saito, Tatsuo; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu","Transition Metal-Free trans-Selective Alkynylboration of Alkynes.","Journal of the American Chemical Society","2017","139","36","12358","12361","10.1021/jacs.7b06212","","","1.54187","CuKα","","","0.0747","","","","0.1519","","","","","","0.89","","","","has coordinates","241706","2020-10-21","18:00:00",""
"4131517","14.764","0.003","23.997","0.005","4.0296","0.0008","90","","90","","90","","1427.7","0.5","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0525","0.0471","","","0.1049","0.1079","","","","","","1.126","","","","has coordinates","241707","2020-10-21","18:00:00",""
"4131518","4.252","0.002","10.804","0.005","14.788","0.007","90","","91.184","0.008","90","","679.2","0.6","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0718","0.0646","","","0.1418","0.1485","","","","","","1.083","","","","has coordinates","241708","2020-10-21","18:00:00",""
"4131519","13.777","0.003","6.4606","0.0013","13.925","0.003","90","","90","","90","","1239.4","0.5","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","0.5","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.1049","0.0965","","","0.2176","0.2367","","","","","","1.053","","","","has coordinates,has disorder","241709","2020-10-21","18:00:00",""
"4131520","8.5418","0.0003","11.8408","0.0005","14.1682","0.0006","104.764","0.003","105.21","0.002","107.082","0.002","1233.26","0.09","100","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Kier, Matthew J.; Leon, Robert M.; O'Rourke, Natasha F; Rheingold, Arnold L.; Micalizio, Glenn C.","Synthesis of Highly Oxygenated Carbocycles by Stereoselective Coupling of Alkynes to 1,3- and 1,4-Dicarbonyl Systems.","Journal of the American Chemical Society","2017","139","36","12374","12377","10.1021/jacs.7b06286","","","1.54178","CuKα","","0.05","0.0431","","","0.1199","0.1267","","","","","","1.064","","","","has coordinates","241710","2020-10-21","18:00:00",""
"4131521","43.069","0.003","43.069","0.003","27.998","0.003","90","","90","","120","","44977","7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K1.23 Li0.77 O40 -","- C48 H80 K1.233 Li0.767 O40 -","- C864 H1440 K22.194 Li13.806 O720 -","18","1","","Patel, Hasmukh A.; Islamoglu, Timur; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Samanta, Avik; Anamimoghadam, Ommid; Malliakas, Christos D.; Farha, Omar K.; Stoddart, J. Fraser","Noninvasive Substitution of K<sup>+</sup> Sites in Cyclodextrin Metal-Organic Frameworks by Li<sup>+</sup> Ions.","Journal of the American Chemical Society","2017","139","32","11020","11023","10.1021/jacs.7b06287","","","1.54178","CuKα","","0.1147","0.0998","","","0.2625","0.2791","","","","","","0.974","","","","has coordinates","241711","2020-10-21","18:00:00",""
"4131522","8.194","0.0016","6.073","0.0012","15.178","0.003","90","","104.96","0.03","90","","729.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","GD-19","GD-19","","- C19 H15 N3 -","- C19 H15 N3 -","- C38 H30 N6 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.66","Synchrotron","","0.0818","0.0566","","","0.1853","0.2176","","","","","","1.203","","","","has coordinates","241712","2020-10-21","18:00:00",""
"4131523","6.8","0.0014","11.502","0.002","8.463","0.0017","90","","99.74","0.03","90","","652.4","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","GD-5","GD-5","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.71073","MoKα","","0.0733","0.0628","","","0.1664","0.1726","","","","","","1.153","","","","has coordinates","241713","2020-10-21","18:00:00",""
"4131524","9.1265","0.0003","9.1821","0.0003","11.6541","0.0004","87.916","0.001","76.284","0.001","62.798","0.001","840.9","0.05","109","2","108.85","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Shrestha, Bijay; Basnet, Prakash; Dhungana, Roshan K.; Kc, Shekhar; Thapa, Surendra; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Olefins by Intercepting Heck Intermediates as Imine-Stabilized Transient Metallacycles.","Journal of the American Chemical Society","2017","139","31","10653","10656","10.1021/jacs.7b06340","","","1.54178","CuKα","","0.0638","0.062","","","0.1737","0.1752","","","","","","1.093","","","","has coordinates","241714","2020-10-21","18:00:00",""
"4131525","17.2666","0.0007","9.0525","0.0004","19.2398","0.0008","90","","103.905","0.002","90","","2919.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 F6 Li N O10 S2 -","- C20 H36 F6 Li N O10 S2 -","- C80 H144 F24 Li4 N4 O40 S8 -","4","1","","Sharon, Daniel; Sharon, Pessia; Hirshberg, Daniel; Salama, Michael; Afri, Michal; Shimon, Linda J. W.; Kwak, Won-Jin; Sun, Yang-Kook; Frimer, Aryeh A.; Aurbach, Doron","2,4-Dimethoxy-2,4-dimethylpentan-3-one: An Aprotic Solvent Designed for Stability in Li-O<sub>2</sub> Cells.","Journal of the American Chemical Society","2017","139","34","11690","11693","10.1021/jacs.7b06414","","","0.71073","MoKα","","0.0485","0.0343","","","0.084","0.0908","","","","","","1.038","","","","has coordinates","241715","2020-10-21","18:00:00",""
"4131526","6.9504","0.0001","16.7652","0.0003","43.917","0.003","90","","90","","90","","5117.4","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C200 H280 N8 O56 -","8","2","","Koch, Aaron A.; Hansen, Douglas A.; Shende, Vikram V.; Furan, Lawrence R.; Houk, K. N.; Jiménez-Osés, Gonzalo; Sherman, David H.","A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst.","Journal of the American Chemical Society","2017","139","38","13456","13465","10.1021/jacs.7b06436","","","1.54178","CuKα","","0.0591","0.0518","","","0.1275","0.1328","","","","","","1.092","","","","has coordinates","241716","2020-10-21","18:00:00",""
"4131527","27.1819","0.0009","27.1819","0.0009","22.9588","0.0009","90","","90","","120","","14690.6","0.9","173","2","173.15","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H18 Mn O7 P0.5 -","- C23 H18 Mn O7 P0.5 -","- C276 H216 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0654","0.042","","","0.1112","0.1212","","","","","","1.056","","","","has coordinates","241717","2020-10-21","18:00:00",""
"4131528","27.0514","0.0003","27.0514","0.0003","23.2766","0.0005","90","","90","","120","","14751.3","0.4","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H12 F6 Mn O7 P0.5 -","- C23 H12 F6 Mn O7 P0.5 -","- C276 H144 F72 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0462","0.0379","","","0.104","0.11","","","","","","1.035","","","","has coordinates,has disorder","241718","2020-10-21","18:00:00",""
"4131529","21.3828","0.0012","4.883","0.0003","22.4473","0.0013","90","","115.924","0.002","90","","2107.9","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C100 H92 N12 O12 -","4","1","","Liu, Zhen; Wang, Yanyan; Wang, Zichen; Zeng, Tian; Liu, Peng; Engle, Keary M.","Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation.","Journal of the American Chemical Society","2017","139","32","11261","11270","10.1021/jacs.7b06520","","","1.54178","CuKα","","0.0371","0.034","","","0.0837","0.086","","","","","","1.058","","","","has coordinates","241719","2020-10-21","18:00:00",""
"4131530","10.398","0.0004","18.5954","0.0007","15.0498","0.0006","90","","98.417","0.002","90","","2878.61","0.19","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N3 O3 -","- C36 H29 N3 O3 -","- C144 H116 N12 O12 -","4","1","","Liu, Zhen; Wang, Yanyan; Wang, Zichen; Zeng, Tian; Liu, Peng; Engle, Keary M.","Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation.","Journal of the American Chemical Society","2017","139","32","11261","11270","10.1021/jacs.7b06520","","x-ray","1.54178","CuKα","","0.0387","0.0321","","","0.0772","0.0811","","","","","","1.017","","","","has coordinates","241720","2020-10-21","18:00:00",""
"4131531","8.8253","0.0004","16.6932","0.0007","15.39","0.0007","90","","100.825","0.002","90","","2226.95","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O -","- C28 H28 N2 O -","- C112 H112 N8 O4 -","4","1","","Derosa, Joseph; Tran, Van T.; Boulous, Mark N.; Chen, Jason S.; Engle, Keary M.","Nickel-Catalyzed β,γ-Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Conjunctive Cross-Coupling.","Journal of the American Chemical Society","2017","139","31","10657","10660","10.1021/jacs.7b06567","","x-ray","1.54178","CuKα","K-L~3~","0.0436","0.0407","","","0.1034","0.1061","","","","","","1.058","","","","has coordinates","241721","2020-10-21","18:00:00",""
"4131532","10.9274","0.0015","11.6646","0.0015","15.873","0.002","90","","92.749","0.007","90","","2020.9","0.5","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","1","","Derosa, Joseph; Tran, Van T.; Boulous, Mark N.; Chen, Jason S.; Engle, Keary M.","Nickel-Catalyzed β,γ-Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Conjunctive Cross-Coupling.","Journal of the American Chemical Society","2017","139","31","10657","10660","10.1021/jacs.7b06567","","x-ray","1.54178","CuKα","K-L~3~","0.0645","0.048","","","0.1136","0.1231","","","","","","1.052","","","","has coordinates","241722","2020-10-21","18:00:00",""
"4131533","17.9435","0.0005","11.618","0.002","20.3","0.002","90","","96.496","0.006","90","","4204.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 Cl2 N2 Si2 -","- C42 H68 Cl2 N2 Si2 -","- C168 H272 Cl8 N8 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.6358","synchrotron","","0.0417","0.0413","","","0.1245","0.1249","","","","","","1.068","","","","has coordinates","241723","2020-10-21","18:00:00",""
"4131534","17.9254","0.0008","11.6078","0.0005","20.4598","0.0009","90","","97.164","0.003","90","","4223.9","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H74 N2 Si2 -","- C44 H74 N2 Si2 -","- C176 H296 N8 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.71073","MoKα","","0.0407","0.0347","","","0.087","0.0925","","","","","","1.048","","","","has coordinates,has disorder","241724","2020-10-21","18:00:00",""
"4131535","34.125","0.004","9.556","0.003","23.278","0.006","90","","100.27","0.03","90","","7469","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H128 N4 Si2 -","- C80 H128 N4 Si2 -","- C320 H512 N16 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.6358","synchrotron","","0.0389","0.0381","","","0.1061","0.107","","","","","","1.024","","","","has coordinates","241725","2020-10-21","18:00:00",""
"4131536","8.187","0.0013","5.4348","0.0008","11.5306","0.0018","90","","98.017","0.003","90","","508.04","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 O S -","- C10 H9 F3 O S -","- C20 H18 F6 O2 S2 -","2","1","","Zhang, Hu; Buchwald, Stephen L.","Palladium-Catalyzed Negishi Coupling of α-CF<sub>3</sub> Oxiranyl Zincate: Access to Chiral CF<sub>3</sub>-Substituted Benzylic Tertiary Alcohols.","Journal of the American Chemical Society","2017","139","33","11590","11594","10.1021/jacs.7b06630","","","0.71073","MoKα","","0.0293","0.0279","","","0.0686","0.0695","","","","","","1.038","","","","has coordinates","241726","2020-10-21","18:00:00",""
"4131537","10.439","0.002","16.789","0.004","19.1","0.005","90","","90","","90","","3347.5","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 Br2 P2 Zn -","- C34 H36 B2 Br2 P2 Zn -","- C136 H144 B8 Br8 P8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0433","0.0317","","","0.0676","0.0717","","","","","","1.052","","","","has coordinates","241727","2020-10-21","18:00:00",""
"4131538","9.5859","0.0009","12.2845","0.001","24.092","0.003","90","","90","","90","","2837","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B2 Cl4 N4 S2 Zn -","- C19 H24 B2 Cl4 N4 S2 Zn -","- C76 H96 B8 Cl16 N16 S8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0593","0.0447","","","0.1049","0.1112","","","","","","1.064","","","","has coordinates,has disorder","241728","2020-10-21","18:00:00",""
"4131539","16.553","0.002","10.077","0.0012","25.796","0.004","90","","103.702","0.003","90","","4180.4","1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 B2 Cl2 P2 Zn -","- C46 H48 B2 Cl2 P2 Zn -","- C184 H192 B8 Cl8 P8 Zn4 -","4","0.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0778","0.0444","","","0.0828","0.0933","","","","","","1.016","","","","has coordinates","241729","2020-10-21","18:00:00",""
"4131540","31.349","0.004","10.2766","0.0016","33.152","0.005","90","","98.316","0.011","90","","10568","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H38 B2 Cd Cl4 P2 -","- C35 H38 B2 Cd Cl4 P2 -","- C420 H456 B24 Cd12 Cl48 P24 -","12","1.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0945","0.0608","","","0.1139","0.133","","","","","","1.151","","","","has coordinates,has disorder","241730","2020-10-21","18:00:00",""
"4131541","14.7841","0.0003","14.3018","0.0002","15.1278","0.0003","90","","117.45","0.0008","90","","2838.5","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Au Cl2 F N -","- C13 Au Cl2 F N -","- C52 Au4 Cl8 F4 N4 -","4","1","","Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.","Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.","Journal of the American Chemical Society","2017","139","36","12386","12389","10.1021/jacs.7b06668","","","0.71073","MoKα","","0.0353","0.0237","","","0.0509","0.0546","","","","","","1.028","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4131542","8.6","0.0002","14.9179","0.0004","15.1241","0.0004","88.579","0.0014","89.7538","0.0015","86.1002","0.0013","1935.24","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Au F P -","- C24 Au F P -","- C48 Au2 F2 P2 -","2","1","","Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.","Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.","Journal of the American Chemical Society","2017","139","36","12386","12389","10.1021/jacs.7b06668","","","0.71073","MoKα","","0.024","0.0192","","","0.0384","0.0396","","","","","","1.029","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4131543","12.5156","0.0002","13.9784","0.0002","20.1391","0.0003","76.0078","0.001","83.8575","0.0011","64.8883","0.0009","3095.58","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H66.92 Fe N2 -","- C84 H66.9226 Fe N2 -","- C168 H133.845 Fe2 N4 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","1.54178","CuKα","","0.0655","0.0485","","","0.1196","0.1309","","","","","","1.028","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131544","18.529","0.008","18.634","0.008","47.04","0.02","90","","98.769","0.007","90","","16052","12","100","1","100.01","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C86 H79 Fe N6 -","- C86 H79 Fe N6 -","- C688 H632 Fe8 N48 -","8","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.1586","0.1075","","","0.3064","0.3463","","","","","","1.105","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131545","13.5","0.018","16.28","0.02","16.45","0.02","84.768","0.016","68.757","0.015","67.129","0.015","3100","7","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C82.81 H70.64 Fe N3 -","- C82.932 H71.796 Fe N3 -","- C165.864 H143.592 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.3553","0.1263","","","0.298","0.4359","","","","","","0.924","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131546","13.4127","0.0009","15.9534","0.001","16.6919","0.0011","87.843","0.001","72.164","0.001","82.17","0.001","3368.3","0.4","100","1","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H80 Fe N3 -","- C85 H80 Fe N3 -","- C170 H160 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.0779","0.0598","","","0.1505","0.165","","","","","","1.031","","","","has coordinates","241733","2020-10-21","18:00:00",""
"4131547","13.519","0.003","16.325","0.003","16.53","0.003","85.219","0.004","68.727","0.004","66.885","0.004","3119.2","1.1","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C83 H73 Fe N3 -","- C83 H73 Fe N3 -","- C166 H146 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.2304","0.0961","","","0.1945","0.2381","","","","","","0.945","","","","has coordinates","241733","2020-10-21","18:00:00",""
"4131548","18.6367","0.00014","5.74782","0.00003","17.8054","0.00012","90","","116.878","0.0009","90","","1701.28","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","2","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0529","0.0529","","","","","","1.045","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4131549","8.0466","0.0001","9.5436","0.0001","13.31","0.0002","97.748","0.001","93.059","0.001","96.81","0.001","1003.14","0.02","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br Cl2 N O3 -","- C20 H18 Br Cl2 N O3 -","- C40 H36 Br2 Cl4 N2 O6 -","2","1","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","0.71073","MoKα","","0.0255","0.0227","","","0.0522","0.0531","","","","","","1.031","","","","has coordinates","241735","2020-10-21","18:00:00",""
"4131550","12.2359","0.0006","14.2531","0.0008","9.9358","0.0006","90","","98.94","0.002","90","","1711.75","0.16","223.15","","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","","0.71073","MoKα","","0.0625","0.0413","","","0.0942","0.1052","","","","","","1.035","","","","has coordinates","241736","2020-10-21","18:00:00",""
"4131551","12.2145","0.0007","19.8453","0.0011","23.3976","0.0013","90","","90","","90","","5671.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 B2 N4 -","- C66 H80 B2 N4 -","- C264 H320 B8 N16 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0424","0.0369","","","0.0956","0.0999","","","","","","1.047","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131552","13.9529","0.0012","36.527","0.003","16.6593","0.0014","90","","113.446","0.0012","90","","7789.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H120 B2 Br N4 O5 -","- C86 H120 B2 Br N4 O5 -","- C344 H480 B8 Br4 N16 O20 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0829","0.0481","","","0.0931","0.1034","","","","","","1.038","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131553","14.0685","0.001","15.0125","0.001","17.817","0.0012","90.7365","0.0011","106.786","0.0011","95.7848","0.0011","3580.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H107.5 B2 Br2 N4 O2.75 -","- C77 H107.5 B2 Br2 N4 O2.75 -","- C154 H215 B4 Br4 N8 O5.5 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0606","0.0436","","","0.0955","0.1024","","","","","","1.016","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131554","10.9914","0.0004","12.4217","0.0004","16.6359","0.0006","90.8263","0.0005","105.451","0.0005","100.831","0.0005","2145.25","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H110 B2 Br2 N14 -","- C86 H110 B2 Br2 N14 -","- C86 H110 B2 Br2 N14 -","1","0.5","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0377","0.0319","","","0.079","0.0817","","","","","","1.032","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131555","13.8441","0.0005","40.4583","0.0014","12.34","0.0004","90","","114.314","0.0005","90","","6298.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 B2 N4 O -","- C72 H92 B2 N4 O -","- C288 H368 B8 N16 O4 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0617","0.0511","","","0.1276","0.1348","","","","","","1.069","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131556","37.9259","0.0011","12.4199","0.0003","25.226","0.0007","90","","93.9393","0.0005","90","","11854.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69.12 H84.49 B2 N4 O2.38 -","- C69.1225 H84.49 B2 N4 O2.3775 -","- C552.98 H675.92 B16 N32 O19.02 -","8","2","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0704","0.051","","","0.1194","0.1297","","","","","","1.024","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131557","12.2955","0.0009","13.3751","0.001","20.8112","0.0015","99.6469","0.0013","93.4959","0.0013","117.309","0.0012","2960.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B2 N4 O2 -","- C66 H80 B2 N4 O2 -","- C132 H160 B4 N8 O4 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0703","0.0467","","","0.1099","0.1223","","","","","","1.028","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131558","14.4259","0.0017","15.0142","0.0019","16.918","0.002","94.524","0.003","101.87","0.003","113.421","0.003","3237.4","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Al2 Cl4 Cr2 F48 O11 -","- C41 H22 Al2 Cl4 Cr2 F48 O11 -","- C82 H44 Al4 Cl8 Cr4 F96 O22 -","2","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0908","0.0676","","","0.1872","0.2032","","","","","","1.088","","","","has coordinates,has disorder","241738","2020-10-21","18:00:00",""
"4131559","20.861","0.004","16.206","0.003","12.709","0.002","90","","90","","90","","4296.6","1.3","123","2","123","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C128 H36 Al4 Co4 Cr4 F144 O36 -","8","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0788","0.0661","","","0.1635","0.1708","","","","","","1.15","","","","has coordinates,has disorder","241739","2020-10-21","18:00:00",""
"4131560","13.677","0.002","65.136","0.01","25.789","0.004","90","","90","","90","","22975","6","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H18 Al2 Cr2 F48 N0 O11 -","- C39 H18 Al2 Cr2 F48 O11 -","- C624 H288 Al32 Cr32 F768 O176 -","16","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.1197","0.0843","","","0.1996","0.2185","","","","","","1.074","","","","has coordinates","241740","2020-10-21","18:00:00",""
"4131561","6.6045","0.0006","10.5502","0.001","9.9087","0.0009","90","","99.277","0.002","90","","681.4","0.11","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C24 H36 O4 Si4 -","2","0.5","","Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng","Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.","Journal of the American Chemical Society","2017","139","33","11601","11609","10.1021/jacs.7b06798","","","0.71073","MoKα","","0.0299","0.0276","","","0.077","0.079","","","","","","1.085","","","","has coordinates","241741","2020-10-21","18:00:00",""
"4131562","14.783","0.003","11.788","0.002","11.937","0.002","90","","103.039","0.004","90","","2026.5","0.6","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Si3 -","- C18 H30 Si3 -","- C72 H120 Si12 -","4","1","","Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng","Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.","Journal of the American Chemical Society","2017","139","33","11601","11609","10.1021/jacs.7b06798","","","0.71073","MoKα","","0.0708","0.0451","","","0.1174","0.1329","","","","","","1.036","","","","has coordinates","241742","2020-10-21","18:00:00",""
"4131563","9.6756","0.0005","9.9965","0.0005","10.5598","0.0006","73.852","0.002","71.287","0.002","71.142","0.002","897.95","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1776","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","1","","Winter, Nils; Trauner, Dirk","Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.","Journal of the American Chemical Society","2017","139","34","11706","11709","10.1021/jacs.7b06815","","","0.71073","MoKα","","0.0448","0.0356","","","0.0883","0.0954","","","","","","1.062","","","","has coordinates","241743","2020-10-21","18:00:00",""
"4131564","13.4104","0.0004","9.3905","0.0003","13.447","0.0003","90","","105.038","0.001","90","","1635.39","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HL115","","","- C17 H26 O2 S -","- C17 H26 O2 S -","- C68 H104 O8 S4 -","4","1","","Winter, Nils; Trauner, Dirk","Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.","Journal of the American Chemical Society","2017","139","34","11706","11709","10.1021/jacs.7b06815","","","0.71073","MoKα","","0.047","0.0359","","","0.0873","0.0948","","","","","","1.038","","","","has coordinates","241743","2020-10-21","18:00:00",""
"4131565","9.2436","0.0004","10.9618","0.0004","34.6834","0.0015","90","","90","","90","","3514.3","0.3","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","PF156","sarpong138","","- C20 H26 O3 -","- C20 H26 O3 -","- C160 H208 O24 -","8","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0704","0.0664","","","0.1451","0.1468","","","","","","1.127","","","","has coordinates,has disorder","241744","2020-10-21","18:00:00",""
"4131566","11.2752","0.0012","11.761","0.0012","12.3224","0.0013","90","","90","","90","","1634","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pf262a","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0277","0.0277","","","0.0734","0.0735","","","","","","1.063","","","","has coordinates","241745","2020-10-21","18:00:00",""
"4131567","9.16","0.0018","10.94","0.002","17.452","0.004","102.47","0.03","97.46","0.03","95.07","0.03","1680.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","TpMes CoCl","Cobalt Trispyrazolylmesitylborate chloride","","- C36 H40 B Cl Co N6 -","- C36 H40 B Cl Co N6 -","- C72 H80 B2 Cl2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.0302","0.028","","","0.0709","0.0721","","","","","","1.029","","","","has coordinates","241746","2020-10-21","18:00:00",""
"4131568","9.0038","0.0014","11.3166","0.0017","17.839","0.003","103.802","0.003","95.013","0.003","94.018","0.003","1750.6","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","TpMes CoAllyl","Cobalt Trispyrazolylmesitylborate allyl","","- C39 H45 B Co N6 -","- C39 H45 B Co N6 -","- C78 H90 B2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.059","0.0444","","","0.1083","0.1154","","","","","","1.036","","","","has coordinates","241747","2020-10-21","18:00:00",""
"4131569","13.5418","0.0012","12.5775","0.0014","14.9257","0.0017","90","","110.15","0.003","90","","2386.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O3 P Pd -","- C26 H28 N O3 P Pd -","- C104 H112 N4 O12 P4 Pd4 -","4","1","","Zhu, Ru-Yi; Liu, Luo-Yan; Yu, Jin-Quan","Highly Versatile β-C(sp<sup>3</sup>)-H Iodination of Ketones Using a Practical Auxiliary.","Journal of the American Chemical Society","2017","139","36","12394","12397","10.1021/jacs.7b06851","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0235","","","0.0563","0.0603","","","","","","1.035","","","","has coordinates","241748","2020-10-21","18:00:00",""
"4131570","13.3492","0.0005","27.9262","0.0013","31.5473","0.0018","73.377","0.004","89.81","0.004","80.969","0.003","11118.6","1","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 F42 N8 P7 -","- C80 H64 F42 N8 P7 -","- C320 H256 F168 N32 P28 -","4","2","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.2088","0.1428","","","0.3722","0.4038","","","","","","1.199","","","","has coordinates","241749","2020-10-21","18:00:00",""
"4131571","13.4859","0.0007","16.4625","0.0008","22.4987","0.0011","86.055","0.002","88.919","0.002","82.503","0.002","4940.3","0.4","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H82 F42 N14 P7 -","- C88 H82 F42 N14 P7 -","- C176 H164 F84 N28 P14 -","2","1","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0925","0.0809","","","0.2255","0.2347","","","","","","1.05","","","","has coordinates,has disorder","241750","2020-10-21","18:00:00",""
"4131572","11.0874","0.0005","17.363","0.0007","18.0711","0.0008","90","","97.398","0.003","90","","3449.9","0.3","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C70 H62 Br2 F24 N8 P4 -","- C70 H62 Br2 F24 N8 P4 -","- C140 H124 Br4 F48 N16 P8 -","2","0.5","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0795","0.0705","","","0.2042","0.2137","","","","","","1.06","","","","has coordinates,has disorder","241751","2020-10-21","18:00:00",""
"4131573","26.9034","0.0018","11.6349","0.0007","30.983","0.002","90","","113.932","0.002","90","","8864.5","1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H72 Co3 N18 O6 -","- C91.5 H69 Co3 N18 O6 -","- C366 H276 Co12 N72 O24 -","4","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1194","0.0868","","","0.2157","0.2392","","","","","","1.028","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131574","19.0961","0.0016","33.161","0.003","34.712","0.003","90","","90","","90","","21981","3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C116.5 H88.26 Co4 N28.25 O8 -","- C116.584 H88.408 Co4 N28.292 O8 -","- C932.672 H707.264 Co32 N226.336 O64 -","8","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1228","0.0876","","","0.1854","0.2024","","","","","","1.165","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131575","8.071","0.002","10.749","0.003","19.914","0.005","90","","90","","90","","1727.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br Cl2 N2 O -","- C15 H19 Br Cl2 N2 O -","- C60 H76 Br4 Cl8 N8 O4 -","4","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0447","0.0321","","","0.0748","0.0808","","","","","","1.025","","","","has coordinates,has disorder","241753","2020-10-21","18:00:00",""
"4131576","7.7531","0.0014","6.6125","0.0012","16.284","0.003","90","","94.153","0.003","90","","832.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C38 H32 Br2 N6 O2 -","2","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0248","0.0231","","","0.057","0.0577","","","","","","1.067","","","","has coordinates","241754","2020-10-21","18:00:00",""
"4131577","22.747","0.003","13.7801","0.0018","15.497","0.002","90","","119.541","0.002","90","","4226.2","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Mn2 Mo N19 O4 -","- C33 H44 Mn2 Mo N19 O4 -","- C132 H176 Mn8 Mo4 N76 O16 -","4","0.5","","Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi","Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation.","Journal of the American Chemical Society","2017","139","34","11714","11717","10.1021/jacs.7b07008","","","0.71073","MoKα","","0.0834","0.0482","","","0.106","0.1216","","","","","","1.023","","","","has coordinates","241755","2020-10-21","18:00:00",""
"4131578","15.059","0.008","13.982","0.008","19.194","0.01","90","","99.926","0.008","90","","3981","4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H72 Mn4 Mo2 N38 O2 -","- C66 H72 Mn4 Mo2 N38 O2 -","- C132 H144 Mn8 Mo4 N76 O4 -","2","0.25","","Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi","Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation.","Journal of the American Chemical Society","2017","139","34","11714","11717","10.1021/jacs.7b07008","","","0.71073","MoKα","","0.0732","0.0534","","","0.1424","0.1607","","","","","","1.078","","","","has coordinates","241755","2020-10-21","18:00:00",""
"4131579","7.967","0.001","8.4581","0.0011","30.254","0.004","90","","90","","90","","2038.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 I O8 -","- C18 H21 I O8 -","- C72 H84 I4 O32 -","4","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.0369","0.0345","","","0.0774","0.0787","","","","","","1.088","","","","has coordinates","241756","2020-10-21","18:00:00",""
"4131580","11.3973","0.0016","9.3083","0.0013","12.632","0.0017","90","","111.857","0.003","90","","1243.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 F3 I O10 -","- C21 H22 F3 I O10 -","- C42 H44 F6 I2 O20 -","2","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.04","0.0381","","","0.1026","0.1044","","","","","","1.053","","","","has coordinates,has disorder","241757","2020-10-21","18:00:00",""
"4131581","10.12744","0.00005","10.12744","0.00005","28.887","0.0003","90","","90","","90","","2962.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H17 Cl F3 N O -","- C14 H17 Cl F3 N O -","- C112 H136 Cl8 F24 N8 O8 -","8","1","","Pedroni, Julia; Cramer, Nicolai","Enantioselective C-H Functionalization-Addition Sequence Delivers Densely Substituted 3-Azabicyclo[3.1.0]hexanes.","Journal of the American Chemical Society","2017","139","36","12398","12401","10.1021/jacs.7b07024","","x-ray","1.54184","CuKα","","0.0203","0.0199","","","0.0533","0.0536","","","","","","1.096","","","","has coordinates","241758","2020-10-21","18:00:00",""
"4131582","14.22616","0.00019","24.8597","0.0004","37.9388","0.0004","81.9672","0.001","87.8161","0.001","76.5409","0.0012","12920.6","0.3","120","0.1","120","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C12 H199 As2 Co9 N2 Na25 O269 P6 W45 -","- C12 H12 As2 Co9 N2 Na25 O269 P6 W45 -","- C24 H24 As4 Co18 N4 Na50 O538 P12 W90 -","2","1","","Yi, Xiaofeng; Izarova, Natalya V.; Stuckart, Maria; Guérin, David; Thomas, Louis; Lenfant, Stéphane; Vuillaume, Dominique; van Leusen, Jan; Duchoň, Tomáš; Nemšák, Slavomír; Bourone, Svenja D. M.; Schmitz, Sebastian; Kögerler, Paul","Probing Frontier Orbital Energies of {Co<sub>9</sub>(P<sub>2</sub>W<sub>15</sub>)<sub>3</sub>} Polyoxometalate Clusters at Molecule-Metal and Molecule-Water Interfaces.","Journal of the American Chemical Society","2017","139","41","14501","14510","10.1021/jacs.7b07034","","","0.71073","MoKα","","0.0771","0.0643","","","0.1374","0.1443","","","","","","1.142","","","","has coordinates,has disorder","241759","2020-10-21","18:00:00",""
"4131583","25.8088","0.0003","25.8336","0.0003","27.1598","0.0003","78.1282","0.0011","61.7276","0.0014","60.622","0.0014","13888.9","0.4","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C12 H197 As2 Co9 Na25 O269 P6 W45 -","- C12 H10 As2 Co9 Na16.27 O243 P6 W45 -","- C24 H20 As4 Co18 Na32.54 O486 P12 W90 -","2","1","","Yi, Xiaofeng; Izarova, Natalya V.; Stuckart, Maria; Guérin, David; Thomas, Louis; Lenfant, Stéphane; Vuillaume, Dominique; van Leusen, Jan; Duchoň, Tomáš; Nemšák, Slavomír; Bourone, Svenja D. M.; Schmitz, Sebastian; Kögerler, Paul","Probing Frontier Orbital Energies of {Co<sub>9</sub>(P<sub>2</sub>W<sub>15</sub>)<sub>3</sub>} Polyoxometalate Clusters at Molecule-Metal and Molecule-Water Interfaces.","Journal of the American Chemical Society","2017","139","41","14501","14510","10.1021/jacs.7b07034","","","0.71073","MoKα","","0.0923","0.0614","","","0.145","0.1698","","","","","","1.057","","","","has coordinates","241760","2020-10-21","18:00:00",""
"4131584","12.9317","0.0005","22.3762","0.0009","18.9484","0.0006","90","","104.763","0.002","90","","5302","0.3","100","2","100.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu0.67 K0.67 N2 O4 -","- C40 H44 Cu0.666667 K0.666667 N2 O4 -","- C240 H264 Cu4 K4 N12 O24 -","6","1.5","","Ahn, Jun Myun; Ratani, Tanvi S.; Hannoun, Kareem I.; Fu, Gregory C.; Peters, Jonas C.","Photoinduced, Copper-Catalyzed Alkylation of Amines: A Mechanistic Study of the Cross-Coupling of Carbazole with Alkyl Bromides.","Journal of the American Chemical Society","2017","139","36","12716","12723","10.1021/jacs.7b07052","","","1.54178","CuKα","","0.1845","0.1065","","","0.2568","0.3014","","","","","","1.043","","","","has coordinates,has disorder","241761","2020-10-21","18:00:00",""
"4131585","19.7038","0.0015","26.008","0.002","35.273","0.003","90","","90","","90","","18076","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C81 H121 Cu O9 P2 Si2 -","- C81 H121 Cu O9 P2 Si2 -","- C648 H968 Cu8 O72 P16 Si16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0969","0.0678","","","0.1711","0.1908","","","","","","1.023","","","","has coordinates,has disorder","241762","2020-10-21","18:00:00",""
"4131586","13.8472","0.0011","23.0453","0.0015","29.284","0.002","90","","90","","90","","9344.9","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","YX3-287","6","","- C74 H100 Cl Cu O8 P2 -","- C74 H100 Cl Cu O8 P2 -","- C296 H400 Cl4 Cu4 O32 P8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0971","0.0718","","","0.1748","0.185","","","","","","1.061","","","","has coordinates","241763","2020-10-21","18:00:00",""
"4131587","19.5026","0.0011","26.0918","0.0016","35.42","0.002","90","","90","","90","","18023.7","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","16","","- C74 H104 B Cu O8 P2 -","- C74 H104 B Cu O8 P2 -","- C592 H832 B8 Cu8 O64 P16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0547","0.0458","","","0.1175","0.1229","","","","","","1.065","","","","has coordinates","241764","2020-10-21","18:00:00",""
"4131588","21.5938","0.0004","21.5938","0.0004","17.8485","0.0004","90","","90","","90","","8322.6","0.3","200","2","200","2","","","","","","","","5","P 4","P 4","75","","27","","- C76 H58 Cu2 O8 P4 -","- C76 H58 Cu2 O8 P4 -","- C304 H232 Cu8 O32 P16 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0941","0.0799","","","0.2013","0.2204","","","","","","1.066","","","","has coordinates","241765","2020-10-21","18:00:00",""
"4131589","14.0112","0.0009","23.8266","0.0017","28.7899","0.0019","90","","90","","90","","9611.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","12","","- C102 H142 Cu F O9 P2 Si2 -","- C102 H142 Cu F O9 P2 Si2 -","- C408 H568 Cu4 F4 O36 P8 Si8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.1089","0.1031","","","0.2649","0.2704","","","","","","1.09","","","","has coordinates","241766","2020-10-21","18:00:00",""
"4131590","6.81","0.0014","13.68","0.003","11.66","0.002","90","","90.35","0.03","90","","1086.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br4 Cu2 N2 O2 -","- C16 H28 Br4 Cu2 N2 O2 -","- C32 H56 Br8 Cu4 N4 O4 -","2","0.5","","Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.","Electronic Structural Analysis of Copper(II)-TEMPO/ABNO Complexes Provides Evidence for Copper(I)-Oxoammonium Character.","Journal of the American Chemical Society","2017","139","38","13507","13517","10.1021/jacs.7b07186","","x-ray","0.71073","MoKα","","0.0371","0.037","","","0.1098","0.1098","","","","","","1.196","","","","has coordinates","241767","2020-10-21","18:00:00",""
"4131591","6.8286","0.0001","13.2674","0.0003","11.3528","0.0002","90","","90.371","0.001","90","","1028.52","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cl4 Cu2 N2 O2 -","- C16 H28 Cl4 Cu2 N2 O2 -","- C32 H56 Cl8 Cu4 N4 O4 -","2","0.5","","Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.","Electronic Structural Analysis of Copper(II)-TEMPO/ABNO Complexes Provides Evidence for Copper(I)-Oxoammonium Character.","Journal of the American Chemical Society","2017","139","38","13507","13517","10.1021/jacs.7b07186","","x-ray","0.71073","MoKα","","0.0172","0.0161","","","0.0465","0.047","","","","","","1.099","","","","has coordinates","241768","2020-10-21","18:00:00",""
"4131592","17.9409","0.0013","5.0852","0.0004","23.236","0.0018","90","","91.934","0.007","90","","2118.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N O -","- C14 H9 N O -","- C112 H72 N8 O8 -","8","1","","Tan, Guangying; Zhu, Lei; Liao, Xingrong; Lan, Yu; You, Jingsong","Rhodium/Copper Cocatalyzed Highly trans-Selective 1,2-Diheteroarylation of Alkynes with Azoles via C-H Addition/Oxidative Cross-Coupling: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2017","139","44","15724","15737","10.1021/jacs.7b07242","","x-ray","1.54184","CuKα","","0.1303","0.0872","","","0.2421","0.3121","","","","","","1.045","","","","has coordinates","241769","2020-10-21","18:00:00",""
"4131593","11.4352","0.0003","5.89377","0.00016","23.7233","0.0008","90","","103.54","0.003","90","","1554.43","0.08","293.52","0.1","293.52","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Tan, Guangying; Zhu, Lei; Liao, Xingrong; Lan, Yu; You, Jingsong","Rhodium/Copper Cocatalyzed Highly trans-Selective 1,2-Diheteroarylation of Alkynes with Azoles via C-H Addition/Oxidative Cross-Coupling: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2017","139","44","15724","15737","10.1021/jacs.7b07242","","x-ray","1.54184","CuKα","","0.0579","0.0532","","","0.1396","0.1476","","","","","","1.039","","","","has coordinates","241770","2020-10-21","18:00:00",""
"4131594","21.4506","0.0017","21.4506","0.0017","28.554","0.003","90","","90","","90","","13139","2","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C256 H512 Co48 Mo24 N16 O76 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.1906","0.0997","","","0.24","0.3005","","","","","","0.98","","","","has coordinates,has disorder","241771","2020-10-21","18:00:00",""
"4131595","21.65893","0.00019","21.65893","0.00019","28.918","0.0004","90","","90","","90","","13565.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C82.18 H149.09 Co12 Mo6 N6.55 O21 P8 Se16 -","- C82.176 H149.088 Co12 Mo6 N6.544 O21 P8 Se16 -","- C328.704 H596.352 Co48 Mo24 N26.176 O84 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.0526","0.0422","","","0.1061","0.115","","","","","","1.05","","","","has coordinates,has disorder","241772","2020-10-21","18:00:00",""
"4131596","5.7214","0.0003","9.7243","0.0006","31.378","0.002","90","","90","","90","","1745.77","0.18","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O S -","- C17 H24 Br N O S -","- C68 H96 Br4 N4 O4 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0557","0.05","","","0.1117","0.1137","","","","","","1.147","","","","has coordinates","241773","2020-10-21","18:00:00",""
"4131597","5.6544","0.0002","10.156","0.0005","34.5988","0.0015","90","","90","","90","","1986.87","0.15","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0375","0.0324","","","0.0927","0.0986","","","","","","0.772","","","","has coordinates","241774","2020-10-21","18:00:00",""
"4131598","21.096","0.006","36.965","0.01","44.576","0.013","90","","90","","90","","34761","17","93","2","93","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H35 N1.5 -","- C44 H35 N1.5 -","- C1408 H1120 N48 -","32","1","","Lu, Xuefeng; Lee, Sangsu; Hong, Yongseok; Phan, Hoa; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Tanaka, Takayuki; Sandoval-Salinas, María Eugenia; Zeng, Wangdong; Ding, Jun; Casanova, David; Osuka, Atsuhiro; Kim, Dongho; Wu, Jishan","Fluorenyl Based Macrocyclic Polyradicaloids.","Journal of the American Chemical Society","2017","139","37","13173","13183","10.1021/jacs.7b07335","","","1.54187","CuKα","","0.1201","0.092","","","0.243","0.276","","","","","","1.052","","","","has coordinates,has disorder","241775","2020-10-21","18:00:00",""
"4131599","9.6","0.003","10.02","0.003","11.759","0.004","109.47","0.018","104.215","0.011","99.016","0.016","997.9","0.6","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N3 O2 Pd -","- C18 H25 N3 O2 Pd -","- C36 H50 N6 O4 Pd2 -","2","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","","0.71073","MoKα","","0.0289","0.0244","","","0.0518","0.0536","","","","","","1.029","","","","has coordinates","241776","2020-10-21","18:00:00",""
"4131600","10.628","0.003","11.741","0.0017","19.964","0.003","103.971","0.005","99.063","0.007","92.649","0.011","2378.1","0.8","100","2","99.91","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N4 O8 Pd4 -","- C48 H56 N4 O8 Pd4 -","- C96 H112 N8 O16 Pd8 -","2","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","","1.54178","CuKα","","0.021","0.0199","","","0.0536","0.0542","","","","","","1.09","","","","has coordinates,has disorder","241778","2020-10-21","18:00:00",""
"4131601","10.0503","0.0008","8.7166","0.0005","15.0873","0.0009","90","","91.12","0.003","90","","1321.46","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 Pd -","- C12 H13 N3 O2 Pd -","- C48 H52 N12 O8 Pd4 -","4","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","x-ray","1.54178","CuKα","","0.0158","0.0156","","","0.0387","0.0387","","","","","","1.131","","","","has coordinates","241779","2020-10-21","18:00:00",""
"4131602","9.40913","0.00014","5.77298","0.00008","15.8083","0.0002","90","","95.2361","0.0015","90","","855.1","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0767","0.0774","","","","","","1.037","","","","has coordinates","241780","2020-10-21","18:00:00",""
"4131603","11.5612","0.0002","6.2572","0.0001","11.9279","0.0002","90","","108.933","0.002","90","","816.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.0985","0.099","","","","","","1.081","","","","has coordinates","241781","2020-10-21","18:00:00",""
"4131604","12.1126","0.0016","14.208","0.002","15.083","0.002","113.528","0.004","90.375","0.004","112.6","0.004","2157.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis-2,6-pyridinedicarboxaldhydebis(p-aminophenylimine) cobalt tetrafluoroborate","","","- C42 H40 B2 Co F8 N12 -","- C42 H40 B2 Co F8 N12 -","- C84 H80 B4 Co2 F16 N24 -","2","1","","Zhao, Yingbo; Guo, Lei; Gándara, Felipe; Ma, Yanhang; Liu, Zheng; Zhu, Chenhui; Lyu, Hao; Trickett, Christopher A.; Kapustin, Eugene A.; Terasaki, Osamu; Yaghi, Omar M.","A Synthetic Route for Crystals of Woven Structures, Uniform Nanocrystals, and Thin Films of Imine Covalent Organic Frameworks.","Journal of the American Chemical Society","2017","139","37","13166","13172","10.1021/jacs.7b07457","","","0.7749","synchrotron","","0.1247","0.081","","","0.1841","0.205","","","","","","1.035","","","","has coordinates","241782","2020-10-21","18:00:00",""
"4131605","12.501","0.0012","17.5618","0.0016","24.024","0.002","90","","90","","90","","5274.2","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H87 N5 O7 -","- C46 H87 N5 O7 -","- C184 H348 N20 O28 -","4","1","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.0619","0.0401","","","0.0909","0.1005","","","","","","1.031","","","","has coordinates","241783","2020-10-21","18:00:00",""
"4131606","17.686","0.004","19.331","0.004","23.621","0.005","90","0.03","90","0.03","90","0.03","8076","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C269.5 H521.4 N32 O47.17 -","- C269.516 H521.376 N32 O47.172 -","- C269.516 H521.376 N32 O47.172 -","1","0.25","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.1004","0.0787","","","0.2156","0.2352","","","","","","1.05","","","","has coordinates,has disorder","241784","2020-10-21","18:00:00",""
"4131607","12.6885","0.0011","8.7452","0.0007","15.7923","0.0013","90","","100.645","0.0019","90","","1722.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C72 H64 Cl8 N8 O8 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","0.71073","MoKα","","0.0606","0.0437","","","0.1011","0.1097","","","","","","1.035","","","","has coordinates","241785","2020-10-21","18:00:00",""
"4131608","9.6978","0.0007","19.0063","0.0012","9.8181","0.0007","90","","107.945","0.002","90","","1721.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C72 H64 Cl8 N8 O8 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","0.71073","MoKα","","0.0828","0.065","","","0.1528","0.1617","","","","","","1.107","","","","has coordinates,has disorder","241786","2020-10-21","18:00:00",""
"4131609","10.0415","0.0012","10.4848","0.0013","14.889","0.0016","90.901","0.009","108.084","0.009","116.848","0.009","1306.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 F9 N2 O6 S -","- C22 H19 F9 N2 O6 S -","- C44 H38 F18 N4 O12 S2 -","2","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","1.54178","CuKα","","0.3263","0.1821","","","0.4253","0.5386","","","","","","1.33","","","","has coordinates","241787","2020-10-21","18:00:00",""
"4131610","14.714","0.0006","15.8048","0.0007","17.2717","0.0007","78.062","0.001","69.374","0.001","64.016","0.001","3372.5","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45.33 H18.67 Cl4 F10 N6 O4 -","- C45.3333 H18.6667 Cl4 F10 N6 O4 -","- C136 H56 Cl12 F30 N18 O12 -","3","1.5","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1414","0.116","","","0.3138","0.3325","","","","","","1.045","","","","has coordinates,has disorder","241788","2020-10-21","18:00:00",""
"4131611","18.035","0.002","31.918","0.004","16.6641","0.0018","90","","112.641","0.004","90","","8853.3","1.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H64 F15 N13 O3 -","- C84 H64 F15 N13 O3 -","- C336 H256 F60 N52 O12 -","4","1","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1472","0.1062","","","0.2874","0.3228","","","","","","1.029","","","","has coordinates,has disorder","241788","2020-10-21","18:00:00",""
"4131612","14.8223","0.0007","30.7285","0.0017","27.9264","0.0015","90","","97.487","0.002","90","","12611.1","1.1","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl6 F18 N14 O8 S Zn -","- C108 H86 Cl6 F18 N14 O8 S Zn -","- C432 H344 Cl24 F72 N56 O32 S4 Zn4 -","4","1","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1812","0.1208","","","0.2972","0.3335","","","","","","1.025","","","","has coordinates","241788","2020-10-21","18:00:00",""
"4131613","13.5506","0.0014","17.0353","0.0017","19.4352","0.0019","90","","96.963","0.001","90","","4453.3","0.8","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C192 H176 N16 O32 -","8","2","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0686","0.0487","","","0.1059","0.1164","","","","","","1.053","","","","has coordinates","241789","2020-10-21","18:00:00",""
"4131614","10.165","0.0001","15.7014","0.0002","11.7761","0.0002","90","","95.618","0.001","90","","1870.49","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.042","0.0382","","","0.1033","0.1077","","","","","","0.995","","","","has coordinates","241790","2020-10-21","18:00:00",""
"4131615","19.1625","0.0006","9.8346","0.0002","10.853","0.0003","90","","103.106","0.002","90","","1992.03","0.09","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0306","0.0292","","","0.0821","0.0838","","","","","","0.997","","","","has coordinates","241791","2020-10-21","18:00:00",""
"4131616","7.8713","0.0001","12.6867","0.0002","21.0416","0.0004","90","","90","","90","","2101.23","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0658","0.0476","","","0.088","0.0961","","","","","","0.98","","","","has coordinates","241792","2020-10-21","18:00:00",""
"4131617","22.2584","0.0014","8.3015","0.0008","12.3291","0.0008","90","","114.434","0.001","90","","2074.1","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N3 O5 -","- C24 H20 Br N3 O5 -","- C96 H80 Br4 N12 O20 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0302","0.0263","","","0.0578","0.0595","","","","","","1.054","","","","has coordinates","241793","2020-10-21","18:00:00",""
"4131618","13.188","0.0003","8.797","0.0002","13.2278","0.0003","90","","112.815","0.001","90","","1414.55","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0507","0.0365","","","0.0867","0.0951","","","","","","1.002","","","","has coordinates","241794","2020-10-21","18:00:00",""
"4131619","29.116","0.006","12.199","0.002","15.114","0.003","90","","108.42","0.03","90","","5093.2","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dmk36913b","","","- C32 H27 N3 O4 -","- C32 H27 N3 O4 -","- C256 H216 N24 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0886","0.0649","","","0.1149","0.1202","","","","","","1.263","","","","has coordinates","241795","2020-10-21","18:00:00",""
"4131620","13.738","0.003","7.521","0.002","8.434","0.002","90","0.03","102.4","0.03","90","0.03","851.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Postphoto_azaindoline","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0941","0.0918","","","0.2629","0.2635","","","","","","1.399","","","","has coordinates","241796","2020-10-21","18:00:00",""
"4131621","12.0069","0.0002","13.087","0.0002","21.3835","0.0003","90","","90","","90","","3360.08","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0685","0.0575","","","0.1511","0.1618","","","","","","1.027","","","","has coordinates","241797","2020-10-21","18:00:00",""
"4131622","10.2794","0.001","15.4093","0.0015","11.6753","0.0011","90","","96.905","0.001","90","","1835.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0629","0.0476","","","0.0993","0.1084","","","","","","1.087","","","","has coordinates","241798","2020-10-21","18:00:00",""
"4131623","15.766","0.0011","5.5591","0.0003","16.8685","0.0012","90","","112.202","0.002","90","","1368.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 O2 -","- C16 H13 F3 O2 -","- C64 H52 F12 O8 -","4","1","","Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben","Site-Selective Catalytic Carboxylation of Unsaturated Hydrocarbons with CO<sub>2</sub> and Water.","Journal of the American Chemical Society","2017","139","35","12161","12164","10.1021/jacs.7b07637","","","0.71073","MoKα","","0.0804","0.0522","","","0.1336","0.1498","","","","","","1.049","","","","has coordinates,has disorder","241799","2020-10-21","18:00:00",""
"4131624","28.1211","0.0009","28.1211","0.0009","30.4311","0.0013","90","","90","","120","","20840.7","1.3","223.01","0.1","223.01","0.1","","","","","","","","3","R 3 :H","R 3","146","6M-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0822","0.0569","","","0.1529","0.1762","","","","","","0.965","","","","has coordinates","241800","2020-10-21","18:00:00",""
"4131625","29.0242","0.0009","29.0242","0.0009","30.6505","0.0011","90","","90","","120","","22360.9","1.3","223","0.1","223","0.1","","","","","","","","3","R 3 :H","R 3","146","6P-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1044","0.0577","","","0.1463","0.1796","","","","","","0.903","","","","has coordinates","241801","2020-10-21","18:00:00",""
"4131626","35.7068","0.0006","35.7068","0.0006","22.6261","0.0004","90","","90","","120","","24982.9","0.7","150","0.1","150","0.1","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","2P4M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0797","0.0548","","","0.1468","0.1676","","","","","","0.941","","","","has coordinates","241802","2020-10-21","18:00:00",""
"4131627","35.6733","0.002","35.6733","0.002","22.6222","0.0016","90","","90","","120","","24932","3","150","0.1","150","0.1","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","4P2M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1179","0.0597","","","0.1404","0.1731","","","","","","0.887","","","","has coordinates","241803","2020-10-21","18:00:00",""
"4131628","11.3187","0.0003","12.1229","0.0003","14.6266","0.0004","85.2769","0.0014","75.3317","0.0014","75.787","0.0014","1881.72","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","KJB-IV-287","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","2","","Hendrick, Charles E.; Bitting, Katie J.; Cho, Seoyoung; Wang, Qiu","Site-Selective Copper-Catalyzed Amination and Azidation of Arenes and Heteroarenes via Deprotonative Zincation.","Journal of the American Chemical Society","2017","139","33","11622","11628","10.1021/jacs.7b07661","","","0.71073","MoKα","","0.0575","0.0381","","","0.0919","0.1019","","","","","","1.014","","","","has coordinates","241804","2020-10-21","18:00:00",""
"4131629","6.411","0.003","15.344","0.007","27.897","0.013","90","","96.217","0.007","90","","2728","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 O Pd -","- C26 H40 N2 O Pd -","- C104 H160 N8 O4 Pd4 -","4","1","","Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro","Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.","Journal of the American Chemical Society","2017","139","36","12414","12417","10.1021/jacs.7b07667","","","0.71075","MoKα","","0.1546","0.0843","","","0.1729","0.2104","","","","","","1.014","","","","has coordinates","241805","2020-10-21","18:00:00",""
"4131630","9.8592","0.0005","10.2085","0.0006","10.9817","0.0007","64.914","0.002","78.901","0.002","65.914","0.0014","913.61","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O Si -","- C23 H22 O Si -","- C46 H44 O2 Si2 -","2","1","","Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro","Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.","Journal of the American Chemical Society","2017","139","36","12414","12417","10.1021/jacs.7b07667","","","0.71075","MoKα","","0.0564","0.0426","","","0.1264","0.1687","","","","","","1.102","","","","has coordinates","241806","2020-10-21","18:00:00",""
"4131631","10.0649","0.0007","17.7723","0.0012","17.206","0.0012","90","","98.0448","0.0015","90","","3047.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LC7","","","- C36 H49 Cl F P Pd -","- C36 H49 Cl F P Pd -","- C144 H196 Cl4 F4 P4 Pd4 -","4","1","","Chen, Liye; Sanchez, Daniel R.; Zhang, Bufan; Carrow, Brad P.","""Cationic"" Suzuki-Miyaura Coupling with Acutely Base-Sensitive Boronic Acids.","Journal of the American Chemical Society","2017","139","36","12418","12421","10.1021/jacs.7b07687","","","0.71073","MoKα","","0.0433","0.0323","","","0.0815","0.0855","","","","","","1.074","","","","has coordinates","241807","2020-10-21","18:00:00",""
"4131632","7.086","0.0005","16.5585","0.001","32.23","0.002","90","","90","","90","","3781.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SKI-138C","sarpong86","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0937","0.0784","","","0.2156","0.2289","","","","","","1.032","","","","has coordinates","241808","2020-10-21","18:00:00",""
"4131633","11.9228","0.0011","18.502","0.0017","8.6469","0.0008","90","","94.417","0.003","90","","1901.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","kk4_124_4","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0359","0.0348","","","0.0897","0.0907","","","","","","1.031","","","","has coordinates","241809","2020-10-21","18:00:00",""
"4131634","8.3725","0.0004","9.6019","0.0004","13.9337","0.0006","96.521","0.002","102.919","0.002","104.785","0.002","1038.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","KK2-194-2","sarpong126","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0401","0.0347","","","0.0856","0.0895","","","","","","1.035","","","","has coordinates","241810","2020-10-21","18:00:00",""
"4131635","7.8766","0.0006","8.5007","0.0007","14.5992","0.0012","97.716","0.004","92.753","0.004","101.587","0.004","946.09","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","0.71073","MoKα","","0.047","0.0403","","","0.1112","0.1139","","","","","","1.143","","","","has coordinates","241811","2020-10-21","18:00:00",""
"4131636","8.7054","0.0003","9.5129","0.0003","11.7668","0.0004","79.413","0.001","88.049","0.001","78.959","0.001","940.13","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","kk4_61_3","","","- C44 H58 N2 O10 -","- C44 H58 N2 O10 -","- C44 H58 N2 O10 -","1","0.5","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0372","0.036","","","0.0939","0.095","","","","","","1.043","","","","has coordinates","241812","2020-10-21","18:00:00",""
"4131637","10.1894","0.0004","14.3413","0.0005","14.4462","0.0005","69.53","0.002","89.57","0.002","78.333","0.002","1932.25","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SKI-138D1","sarpong85","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0865","0.0682","","","0.1896","0.2049","","","","","","1.041","","","","has coordinates","241813","2020-10-21","18:00:00",""
"4131638","27.518","0.004","9.3225","0.0013","19.913","0.003","90","","109.766","0.001","90","","4807.4","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Sb2 Si8 -","- C32 H72 Sb2 Si8 -","- C128 H288 Sb8 Si32 -","4","1","","Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz","Bis(stibahousene).","Journal of the American Chemical Society","2017","139","39","13897","13902","10.1021/jacs.7b07712","","","0.71073","MoKα","","0.0418","0.0413","","","0.0943","0.0945","","","","","","1.296","","","","has coordinates","241814","2020-10-21","18:00:00",""
"4131639","11.598","0.005","15.124","0.006","17.221","0.007","103.792","0.004","90.529","0.004","105.736","0.004","2815","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H78 F8 Sb4 Si8 -","- C34.5 H78 F8 Sb4 Si8 -","- C69 H156 F16 Sb8 Si16 -","2","1","","Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz","Bis(stibahousene).","Journal of the American Chemical Society","2017","139","39","13897","13902","10.1021/jacs.7b07712","","","0.71073","MoKα","","0.0995","0.0721","","","0.1662","0.1802","","","","","","1.119","","","","has coordinates,has disorder","241815","2020-10-21","18:00:00",""
"4131640","16.461","0.003","12.567","0.002","12.991","0.002","90","","99.176","0.011","90","","2653","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N4 O11 -","- C29 H22 N4 O11 -","- C116 H88 N16 O44 -","4","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0711","0.0439","","","0.0972","0.1092","","","","","","1.022","","","","has coordinates","241816","2020-10-21","18:00:00",""
"4131641","11.222","0.0005","11.5293","0.0006","13.0311","0.0007","75.367","0.003","64.51","0.002","72.713","0.002","1437.83","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0548","0.0486","","","0.137","0.1413","","","","","","1.168","","","","has coordinates,has disorder","241817","2020-10-21","18:00:00",""
"4131642","8.7035","0.0018","8.1115","0.0019","21.516","0.005","90","","98.492","0.015","90","","1502.3","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 N O9 Si -","- C33 H37 N O9 Si -","- C66 H74 N2 O18 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0325","0.0295","","","0.0682","0.0698","","","","","","1.063","","","","has coordinates","241818","2020-10-21","18:00:00",""
"4131643","9.9577","0.0006","9.9793","0.0007","16.4948","0.001","78.033","0.003","88.852","0.003","69.725","0.003","1501.73","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N O7 Si -","- C33 H35 N O7 Si -","- C66 H70 N2 O14 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.042","0.0369","","","0.0926","0.0961","","","","","","1.027","","","","has coordinates","241819","2020-10-21","18:00:00",""
"4131644","6.4757","0.0002","17.3858","0.0005","12.233","0.0004","90","","98.468","0.002","90","","1362.24","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C60 H48 Cl4 N4 O20 -","4","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0402","0.0345","","","0.0863","0.0898","","","","","","1.037","","","","has coordinates","241820","2020-10-21","18:00:00",""
"4131645","8.4426","0.0007","9.5333","0.0007","11.9143","0.0009","79.721","0.001","86.353","0.001","71.283","0.001","893.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Br2 O2 -","- C18 H26 Br2 O2 -","- C36 H52 Br4 O4 -","2","1","","Burckle, Alexander J.; Gál, Bálint; Seidl, Frederick J.; Vasilev, Vasil H.; Burns, Noah Z.","Enantiospecific Solvolytic Functionalization of Bromochlorides.","Journal of the American Chemical Society","2017","139","38","13562","13569","10.1021/jacs.7b07792","","","0.71073","MoKα","","0.0372","0.0287","","","0.0703","0.0734","","","","","","1.083","","","","has coordinates","241821","2020-10-21","18:00:00",""
"4131646","14.102","0.004","26.662","0.007","16.337","0.004","90","","105.559","0.004","90","","5917","3","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 F6 Fe N4 O6 S2 Si3 -","- C47 H78 F6 Fe N4 O6 S2 Si3 -","- C188 H312 F24 Fe4 N16 O24 S8 Si12 -","4","1","","Borrell, Margarida; Costas, Miquel","Mechanistically Driven Development of an Iron Catalyst for Selective Syn-Dihydroxylation of Alkenes with Aqueous Hydrogen Peroxide.","Journal of the American Chemical Society","2017","139","36","12821","12829","10.1021/jacs.7b07909","","","0.71073","MoKα","","0.1033","0.0537","","","0.1194","0.1406","","","","","","1.024","","","","has coordinates,has disorder","241822","2020-10-21","18:00:00",""
"4131647","29.9444","0.0006","29.9444","0.0006","29.9444","0.0006","90","","90","","90","","26850.2","0.9","290","2","290","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C64 H50 N O14.5 Zn4 -","- C64 H50 N O14.5 Zn4 -","- C384 H300 N6 O87 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0795","0.0681","","","0.1865","0.1946","","","","","","1.07","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131648","29.9461","0.0003","29.9461","0.0003","29.9461","0.0003","90","","90","","90","","26854.7","0.5","291","2","291","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0414","0.0372","","","0.1034","0.117","","","","","","1.083","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131649","29.9603","0.0003","29.9603","0.0003","29.9603","0.0003","90","","90","","90","","26893","0.5","293","2","293","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0395","0.0364","","","0.1615","0.1649","","","","","","1.409","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131650","9.8347","0.0006","10.9173","0.0007","13.2494","0.0008","100.003","0.002","96.765","0.002","104.964","0.002","1333.51","0.14","301","2","301.44","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H39 Cu F9 N -","- C20 H39 Cu F9 N -","- C40 H78 Cu2 F18 N2 -","2","1","","Tan, Xinqiang; Liu, Zhonglin; Shen, Haigen; Zhang, Pei; Zhang, Zhenzhen; Li, Chaozhong","Silver-Catalyzed Decarboxylative Trifluoromethylation of Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2017","139","36","12430","12433","10.1021/jacs.7b07944","","","0.71073","MoKα","","0.1292","0.0981","","","0.2594","0.3027","","","","","","1.046","","","","has coordinates","241824","2020-10-21","18:00:00",""
"4131651","12.318","0.002","17.125","0.004","25.001","0.005","90","","93.745","0.004","90","","5262.6","1.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O Si -","- C30 H36 O Si -","- C240 H288 O8 Si8 -","8","2","","Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro","Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.","Journal of the American Chemical Society","2017","139","40","14013","14016","10.1021/jacs.7b08055","","","0.71075","MoKα","","0.1247","0.0986","","","0.2185","0.2367","","","","","","1.18","","","","has coordinates","241825","2020-10-21","18:00:00",""
"4131652","10.303","0.0004","31.7889","0.0011","8.0404","0.0003","90","","102.747","0.004","90","","2568.5","0.17","93","2","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O Si -","- C30 H38 O Si -","- C120 H152 O4 Si4 -","4","1","","Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro","Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.","Journal of the American Chemical Society","2017","139","40","14013","14016","10.1021/jacs.7b08055","","","0.71073","MoKα","","0.0787","0.0645","","","0.1698","0.182","","","","","","1.144","","","","has coordinates","241826","2020-10-21","18:00:00",""
"4131653","25.01","0.002","28.505","0.003","38.129","0.003","104.196","0.004","101.863","0.004","91.09","0.005","25720","4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C192 H926 K3 Mo154 Na15 O979 P2 W18 -","- C192 Mo154 Na1.5 O754 P2 W18 -","- C192 Mo154 Na1.5 O754 P2 W18 -","1","0.5","","Moussawi, Mhamad Aly; Haouas, Mohamed; Floquet, Sébastien; Shepard, William E.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Cordier, Stéphane; Ponchel, Anne; Monflier, Eric; Marrot, Jérôme; Cadot, Emmanuel","Nonconventional Three-Component Hierarchical Host-Guest Assembly Based on Mo-Blue Ring-Shaped Giant Anion, γ-Cyclodextrin, and Dawson-type Polyoxometalate.","Journal of the American Chemical Society","2017","139","41","14376","14379","10.1021/jacs.7b08058","","","0.71073","MoKα","","0.2469","0.172","","","0.4198","0.4778","","","","","","1.093","","","","has coordinates,has disorder","241827","2020-10-21","18:00:00",""
"4131654","13.2054","0.0005","13.0747","0.0004","14.3114","0.0005","90","","107.608","0.004","90","","2355.19","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B2 F4 N4 -","- C54 H68 B2 F4 N4 -","- C108 H136 B4 F8 N8 -","2","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","0.71073","MoKα","","0.0565","0.0419","","","0.1038","0.1127","","","","","","1.019","","","","has coordinates,has disorder","241828","2020-10-21","18:00:00",""
"4131655","7.5627","0.0004","10.9924","0.0006","11.4757","0.0006","71.452","0.005","79.688","0.004","78.015","0.005","878.15","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 B2 F4 N4 -","- C42 H44 B2 F4 N4 -","- C42 H44 B2 F4 N4 -","1","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","1.54184","CuKα","","0.0408","0.0386","","","0.1042","0.1068","","","","","","1.044","","","","has coordinates","241829","2020-10-21","18:00:00",""
"4131656","13.30119","0.00018","8.21083","0.00014","22.2419","0.0003","90","","100.203","0.0014","90","","2390.71","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B2 Cl6 F4 N4 -","- C48 H54 B2 Cl6 F4 N4 -","- C96 H108 B4 Cl12 F8 N8 -","2","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","1.54184","CuKα","","0.0479","0.0445","","","0.1257","0.1293","","","","","","1.036","","","","has coordinates","241830","2020-10-21","18:00:00",""
"4131657","7.701","0.0002","5.6589","0.0001","18.674","0.0004","90","","92.703","0.001","90","","812.89","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0711","0.07","","","0.17","0.1723","","","","","","1.069","","","","has coordinates","241831","2020-10-21","18:00:00",""
"4131658","6.2723","0.0001","16.0553","0.0003","16.2734","0.0003","90","","90","","90","","1638.79","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 O2 -","- C19 H21 O2 -","- C76 H84 O8 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0371","0.036","","","0.1038","0.105","","","","","","1.054","","","","has coordinates","241832","2020-10-21","18:00:00",""
"4131659","22.541","0.002","28.224","0.003","11.1173","0.0011","90","","90","","90","","7072.8","1.2","296.15","0.1","296.15","0.1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C210 H240 B16 Cl4 Cu16 F64 N48 O64 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","0.71073","MoKα","","0.1374","0.0816","","","0.2244","0.2671","","","","","","1.02","","","","has coordinates,has disorder","241833","2020-10-21","18:00:00",""
"4131660","9.6412","0.0003","11.9525","0.0004","13.9387","0.0004","83","0.003","73.214","0.002","71.465","0.002","1457.24","0.08","250","2","250.03","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 F24 N5 P4 -","- C50 H43 F24 N5 P4 -","- C50 H43 F24 N5 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.","Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.","Journal of the American Chemical Society","2017","139","40","14265","14276","10.1021/jacs.7b08275","","","1.54178","CuKα","","0.1093","0.0968","","","0.313","0.3339","","","","","","1.437","","","","has coordinates,has disorder","241834","2020-10-21","18:00:00",""
"4131661","7.3123","0.0002","12.901","0.0003","19.3466","0.0005","88.7203","0.0015","89.3061","0.0017","88.8464","0.0016","1824.13","0.08","100","2","99.93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 F24 N10 P4 -","- C60 H58 F24 N10 P4 -","- C60 H58 F24 N10 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.","Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.","Journal of the American Chemical Society","2017","139","40","14265","14276","10.1021/jacs.7b08275","","","1.54178","CuKα","","0.0642","0.0534","","","0.1356","0.1415","","","","","","1.056","","","","has coordinates,has disorder","241835","2020-10-21","18:00:00",""
"4131662","12.6861","0.0015","14.7681","0.0018","13.3305","0.0015","90","","108.111","0.005","90","","2373.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Br Mn N2 O2 P -","- C21 H35 Br Mn N2 O2 P -","- C84 H140 Br4 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0454","0.0329","","","0.0657","0.0695","","","","","","1.042","","","","has coordinates,has disorder","241836","2020-10-21","18:00:00",""
"4131663","14.1304","0.0015","14.4105","0.0014","11.1726","0.0012","90","","96.228","0.003","90","","2261.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H34 Mn N2 O2 P -","- C21 H34 Mn N2 O2 P -","- C84 H136 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0469","0.0367","","","0.0732","0.0777","","","","","","1.012","","","","has coordinates","241836","2020-10-21","18:00:00",""
"4131664","44.055","0.006","44.055","0.006","18.729","0.004","90","","90","","120","","31480","9","298","2","298","2","","","","","","","","5","P 63","P 6c","173","ST-1","ST-1","","- C40 H24 N8 O13 Zn4 -","- C40 H24 N8 O13 Zn4 -","- C240 H144 N48 O78 Zn24 -","6","1","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82653","synchrotron","","0.049","0.0462","","","0.1468","0.1552","","","","","","1.055","","","","has coordinates","241837","2020-10-21","18:00:00",""
"4131665","44.192","0.006","44.192","0.006","54.961","0.011","90","","90","","120","","92955","3","298.15","","298.15","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C132 H78 N24 O39 Zn12 -","- C133 H78 N21 O39 Zn12 -","- C798 H468 N126 O234 Zn72 -","6","0.5","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.7293","","","0.1208","0.1108","","","0.3684","0.39","","","","","","1.778","","","","has coordinates,has disorder","241838","2020-10-21","18:00:00",""
"4131666","30.926","0.004","30.926","0.004","35.157","0.007","90","","90","","90","","33625","9","298","2","298","2","","","","","","","","5","P -4 2 c","P -4 2c","112","ST-3","ST-3","","- C44 H26.67 N8 O13 Zn4 -","- C44 H26.6667 N8 O13 Zn4 -","- C264 H160 N48 O78 Zn24 -","6","0.75","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82651","Synchrotron","","0.0462","0.0382","","","0.1183","0.128","","","","","","1.005","","","","has coordinates","241839","2020-10-21","18:00:00",""
"4131667","77.569","0.009","77.569","0.009","77.569","0.009","90","","90","","90","","466729","9","298","2","298","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C228 H138 N36 O65 Zn20 -","- C228 H138 N36 O65 Zn20 -","- C3648 H2208 N576 O1040 Zn320 -","16","0.166667","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.8265","","","0.0572","0.0345","","","0.0817","0.0901","","","","","","0.966","","","","has coordinates,has disorder","241840","2020-10-21","18:00:00",""
"4131668","30.559","0.0009","7.1819","0.0002","26.4061","0.0009","90","","103.31","0.002","90","","5639.7","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O4 Pd -","- C24 H19 N3 O4 Pd -","- C192 H152 N24 O32 Pd8 -","8","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","x-ray","0.71073","MoKα","K-L~3~","0.0424","0.0377","","","0.0901","0.0929","","","","","","1.132","","","","has coordinates","241841","2020-10-21","18:00:00",""
"4131669","8.1556","0.0011","10.4321","0.0013","16.817","0.002","76.394","0.003","79.665","0.004","71.2","0.003","1308.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N3 O5 S -","- C30 H29 N3 O5 S -","- C60 H58 N6 O10 S2 -","2","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","x-ray","0.71073","MoKα","K-L~3~","0.0578","0.045","","","0.1061","0.1152","","","","","","1.039","","","","has coordinates,has disorder","241842","2020-10-21","18:00:00",""
"4131670","8.5111","0.0005","10.9386","0.0006","19.1791","0.001","81.916","0.003","86.459","0.002","69.01","0.003","1650.39","0.16","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N6 O7 Pd2 -","- C34 H36 N6 O7 Pd2 -","- C68 H72 N12 O14 Pd4 -","2","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","","1.54178","CuKα","","0.0346","0.0311","","","0.0751","0.0771","","","","","","1.052","","","","has coordinates","241843","2020-10-21","18:00:00",""
"4131671","10.5764","0.0005","36.38","0.0019","14.01","0.0007","90","","107.446","0.002","90","","5142.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N8 O7 Rh2 S2 -","- C52 H54 N8 O7 Rh2 S2 -","- C208 H216 N32 O28 Rh8 S8 -","4","1","","Whittemore, Tyler J.; Sayre, Hannah J.; Xue, Congcong; White, Travis A.; Gallucci, Judith C.; Turro, Claudia","New Rh<sub>2</sub>(II,II) Complexes for Solar Energy Applications: Panchromatic Absorption and Excited-State Reactivity.","Journal of the American Chemical Society","2017","139","41","14724","14732","10.1021/jacs.7b08489","","x-ray","0.71073","MoKα","","0.0418","0.0322","","","0.0847","0.0888","","","","","","1.066","","","","has coordinates","241844","2020-10-21","18:00:00",""
"4131672","6.1822","0.0012","13.451","0.003","14.282","0.003","79.78","0.03","89.81","0.03","76.78","0.03","1137","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C44 H56 I2 N2 O10 -","2","2","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1066","0.0451","","","0.1042","0.1275","","","","","","0.933","","","","has coordinates","241845","2020-10-21","18:00:00",""
"4131673","26.6787","0.0002","6.1565","0.0003","17.006","0.0003","90","","123.668","0.004","90","","2324.67","0.16","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C88 H112 I4 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0427","0.0338","","","0.0709","0.0757","","","","","","1.022","","","","has coordinates","241846","2020-10-21","18:00:00",""
"4131674","6.7578","0.0015","7.6767","0.0018","26.524","0.006","90","","90","","90","","1376","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1244","0.0742","","","0.1521","0.1764","","","","","","1.03","","","","has coordinates","241847","2020-10-21","18:00:00",""
"4131675","13.443","0.0014","5.8222","0.0006","15.2575","0.0016","90","","101.159","0.002","90","","1171.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0723","0.0527","","","0.1481","0.1674","","","","","","0.981","","","","has coordinates","241848","2020-10-21","18:00:00",""
"4131676","23.701","0.004","6.8855","0.0011","16.964","0.003","90","","121.446","0.007","90","","2361.8","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H29 N O5 S2 Si -","- C19 H29 N O5 S2 Si -","- C76 H116 N4 O20 S8 Si4 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0708","0.059","","","0.1513","0.162","","","","","","1.024","","","","has coordinates,has disorder","241849","2020-10-21","18:00:00",""
"4131677","12.0608","0.0006","12.0783","0.0006","7.3327","0.0005","90","","93.252","0.005","90","","1066.46","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl F N O S -","- C11 H7 Cl F N O S -","- C44 H28 Cl4 F4 N4 O4 S4 -","4","1","","Pascoe, Dominic J.; Ling, Kenneth B.; Cockroft, Scott L.","The Origin of Chalcogen-Bonding Interactions.","Journal of the American Chemical Society","2017","139","42","15160","15167","10.1021/jacs.7b08511","","x-ray","0.71073","MoKα","","0.0548","0.0437","","","0.0808","0.0847","","","","","","1.11","","","","has coordinates","241850","2020-10-21","18:00:00",""
"4131678","11.4339","0.0003","40.051","0.0011","54.661","0.002","90","","90","","90","","25031.4","1.3","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C73 H81 Cl2 N4 Ru2 -","- C64 H72 Cl2 N4 Ru2 -","- C1024 H1152 Cl32 N64 Ru32 -","16","0.5","","Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.","Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.","Journal of the American Chemical Society","2017","139","46","16446","16449","10.1021/jacs.7b08578","","","1.54178","CuKα","","0.0825","0.0658","","","0.1688","0.1877","","","","","","1.191","","","","has coordinates,has disorder","241851","2020-10-21","18:00:00",""
"4131679","10.6206","0.0003","11.5671","0.0003","13.1397","0.0003","98.4882","0.0007","109.767","0.0006","110.9","0.0006","1351.46","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl2 N4 O4 Ru2 -","- C56 H68 Cl2 N4 O4 Ru2 -","- C56 H68 Cl2 N4 O4 Ru2 -","1","0.5","","Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.","Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.","Journal of the American Chemical Society","2017","139","46","16446","16449","10.1021/jacs.7b08578","","","1.54178","CuKα","","0.0252","0.025","","","0.0667","0.067","","","","","","1.068","","","","has coordinates","241852","2020-10-21","18:00:00",""
"4131680","14.689","0.003","16.134","0.004","16.338","0.004","105.911","0.006","109.936","0.006","109.388","0.006","3088.7","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N8 Ni O3.6 Re0.4 -","- C38 H28 N8 Ni O3.6 Re0.4 -","- C76 H56 N16 Ni2 O7.2 Re0.8 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.1106","0.077","","","0.2279","0.2488","","","","","","1.037","","","","has coordinates","241853","2020-10-21","18:00:00",""
"4131681","14.487","0.002","16.155","0.002","16.239","0.002","106.811","0.005","109.4","0.005","109.306","0.005","3024.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 N8 Ni O2 -","- C38 H28 N8 Ni O2 -","- C76 H56 N16 Ni2 O4 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.0922","0.0567","","","0.1629","0.1787","","","","","","1.136","","","","has coordinates","241854","2020-10-21","18:00:00",""
"4131682","14.665","0.002","16.116","0.003","16.329","0.003","106.1","0.005","109.903","0.005","109.451","0.005","3071.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N8 Ni O3.2 Tc0.3 -","- C38 H28 N8 Ni O3.2 Tc0.3 -","- C76 H56 N16 Ni2 O6.4 Tc0.6 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.076","0.0606","","","0.1936","0.2024","","","","","","1.522","","","","has coordinates","241855","2020-10-21","18:00:00",""
"4131683","35.924","0.005","95.717","0.012","36.659","0.005","90","","94.532","0.008","90","","125659","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C840 H1092 Au279 S83 -","- Au279 S84 -","- Au1116 S336 -","4","1","","Sakthivel, Naga Arjun; Theivendran, Shevanuja; Ganeshraj, Vigneshraja; Oliver, Allen G.; Dass, Amala","Crystal Structure of Faradaurate-279: Au<sub>279</sub>(SPh-tBu)<sub>84</sub> Plasmonic Nanocrystal Molecules.","Journal of the American Chemical Society","2017","139","43","15450","15459","10.1021/jacs.7b08651","","","1.54184","CuKα","","0.2513","0.1372","","","0.3456","0.3968","","","","","","1.743","","","","has coordinates,has disorder","241856","2020-10-21","18:00:00",""
"4131684","42.4313","0.0018","42.4313","0.0018","15.8882","0.0008","90","","90","","90","","28605","2","100","2","100.01","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H62 Fe N3 -","- C76 H62 Fe N3 -","- C1216 H992 Fe16 N48 -","16","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Wrobel, Alexandra T.; Lukens, James T.; MacMillan, Samantha N.; Lancaster, Kyle M.; Betley, Theodore A.","Direct Comparison of C-H Bond Amination Efficacy through Manipulation of Nitrogen-Valence Centered Redox: Imido versus Iminyl.","Journal of the American Chemical Society","2017","139","41","14757","14766","10.1021/jacs.7b08714","","","0.71073","MoKα","","0.1467","0.0892","","","0.2592","0.2799","","","","","","1.136","","","","has coordinates,has disorder","241857","2020-10-21","18:00:00",""
"4131685","14.694","0.003","15.145","0.003","16.966","0.004","68.051","0.003","84.136","0.003","79.987","0.003","3445.8","1.3","100","2","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H63 Fe N3 -","- C76 H63 Fe N3 -","- C152 H126 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Wrobel, Alexandra T.; Lukens, James T.; MacMillan, Samantha N.; Lancaster, Kyle M.; Betley, Theodore A.","Direct Comparison of C-H Bond Amination Efficacy through Manipulation of Nitrogen-Valence Centered Redox: Imido versus Iminyl.","Journal of the American Chemical Society","2017","139","41","14757","14766","10.1021/jacs.7b08714","","","0.71073","MoKα","","0.165","0.0885","","","0.2473","0.2798","","","","","","0.969","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4131686","4.8473","0.001","5.199","0.001","15.806","0.003","92.536","0.003","92.576","0.003","95.768","0.003","395.43","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","1","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","0.71073","MoKα","","0.0702","0.0443","","","0.1015","0.1107","","","","","","1.043","","","","has coordinates","241858","2020-10-21","18:00:00",""
"4131687","5.385","0.0001","4.9432","0.0001","27.2148","0.0007","90","","90.2187","0.0016","90","","724.43","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","1.54178","CuKα","","0.0374","0.0324","","","0.0867","0.0891","","","","","","1.057","","","","has coordinates","241859","2020-10-21","18:00:00",""
"4131688","4.7918","0.0002","5.431","0.0002","19.0454","0.0007","88.299","0.002","89.48","0.001","81.756","0.002","490.3","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","1.54178","CuKα","","0.0416","0.039","","","0.1092","0.1115","","","","","","1.052","","","","has coordinates","241860","2020-10-21","18:00:00",""
"4131689","11.6141","0.0017","16.5066","0.0018","17.648","0.003","85.169","0.005","85.229","0.006","70.914","0.004","3180.4","0.8","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.1718","0.1082","","","0.2867","0.3495","","","","","","1.055","","","","has coordinates,has disorder","241861","2020-10-21","18:00:00",""
"4131690","11.784","0.011","16.53","0.015","17.793","0.016","84.348","0.011","86.138","0.011","70.556","0.01","3250","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.133","0.0843","","","0.242","0.2722","","","","","","1.053","","","","has coordinates,has disorder","241862","2020-10-21","18:00:00",""
"4131691","11.73","0.008","16.672","0.011","17.852","0.012","85.098","0.009","85.288","0.011","70.783","0.009","3279","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.2818","0.1058","","","0.2178","0.2987","","","","","","0.934","","","","has coordinates,has disorder","241863","2020-10-21","18:00:00",""
"4131692","11.679","0.002","16.572","0.003","17.764","0.003","84.935","0.005","85.446","0.005","70.766","0.005","3228.9","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.2544","0.1038","","","0.2184","0.2924","","","","","","0.956","","","","has coordinates,has disorder","241864","2020-10-21","18:00:00",""
"4131693","13.951","0.006","22.262","0.009","15.711","0.006","90","","95.438","0.011","90","","4858","3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 Fe2 N10 O2 S -","- C45 H52 B2 F8 Fe2 N10 O2 S -","- C180 H208 B8 F32 Fe8 N40 O8 S4 -","4","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.1519","0.0799","","","0.1849","0.2227","","","","","","1.021","","","","has coordinates,has disorder","241865","2020-10-21","18:00:00",""
"4131694","15.5333","0.0015","9.9375","0.001","16.9501","0.0016","90","","99.275","0.003","90","","2582.2","0.4","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Al Br2 N2 Si -","- C20 H41 Al Br2 N2 Si -","- C80 H164 Al4 Br8 N8 Si4 -","4","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0398","0.0314","","","0.063","0.0654","","","","","","1.152","","","","has coordinates","241866","2020-10-21","18:00:00",""
"4131695","9.1376","0.0003","11.34","0.0004","15.0779","0.0005","96.189","0.001","106.151","0.001","113.011","0.001","1339.23","0.08","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C20 H41 Al I2 N2 Si -","- C20 H41 Al I2 N2 Si -","- C40 H82 Al2 I4 N4 Si2 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0163","0.0146","","","0.035","0.0357","","","","","","1.079","","","","has coordinates","241867","2020-10-21","18:00:00",""
"4131696","9.5006","0.0005","11.8557","0.0006","11.8594","0.0006","99.203","0.002","106.019","0.002","110.967","0.002","1148.04","0.11","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H82 Al2 N4 Si2 -","- C40 H82 Al2 N4 Si2 -","- C40 H82 Al2 N4 Si2 -","1","0.5","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0783","0.0676","","","0.1693","0.1789","","","","","","1.05","","","","has coordinates,has disorder","241868","2020-10-21","18:00:00",""
"4131697","12.5284","0.0006","17.6881","0.001","14.2283","0.0007","90","","113.22","0.002","90","","2897.6","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C53 H100 Al2 N4 Si2 -","- C53 H100 Al2 N4 Si2 -","- C106 H200 Al4 N8 Si4 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0319","0.029","","","0.0712","0.0728","","","","","","1.027","","","","has coordinates,has disorder","241869","2020-10-21","18:00:00",""
"4131698","31.4094","0.0016","17.7939","0.0008","23.1766","0.0012","90","","123.683","0.001","90","","10778.7","0.9","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H94 Al2 N4 Si2 -","- C49 H94 Al2 N4 Si2 -","- C392 H752 Al16 N32 Si16 -","8","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0618","0.0413","","","0.0916","0.097","","","","","","1.062","","","","has coordinates,has disorder","241870","2020-10-21","18:00:00",""
"4131699","11.55","0.0013","37.053","0.004","26.689","0.003","90","","102.37","0.003","90","","11157","2","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Al2 N4 Si2 -","- C48 H88 Al2 N4 Si2 -","- C384 H704 Al16 N32 Si16 -","8","2","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0931","0.0551","","","0.1227","0.138","","","","","","1.023","","","","has coordinates","241871","2020-10-21","18:00:00",""
"4131700","18.4029","0.0019","18.4029","0.0019","16.434","0.003","90","","90","","90","","5565.6","1.3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 S4 -","- C108 H144 Ag4 Au4 N8 S4 -","- C216 H288 Ag8 Au8 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0214","0.0189","","","0.047","0.0482","","","","","","0.717","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131701","18.437","0.004","18.437","0.004","16.477","0.006","90","","90","","90","","5601","3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 Se4 -","- C108 H144 Ag4 Au4 N8 Se4 -","- C216 H288 Ag8 Au8 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0372","0.0261","","","0.0394","0.0412","","","","","","0.974","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131702","18.389","0.005","18.389","0.005","16.455","0.004","90","","90","","90","","5564","3","110","2","110","2","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 S4 -","- C108 H144 Au8 N8 S4 -","- C216 H288 Au16 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.056","0.033","","","0.0684","0.0752","","","","","","0.991","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131703","18.451","0.005","18.451","","16.458","0.006","90","","90","","90","","5603","3","110","","110","","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 Se4 -","- C108 H144 Au8 N8 Se4 -","- C216 H288 Au16 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0301","0.0238","","","0.0437","0.0455","","","","","","1.006","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131704","14.9225","0.0011","22.1262","0.0018","34.994","0.003","90","","90","","90","","11554.3","1.6","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C112 H152 Au8 N8 O Te4 -","- C112 H152 Au8 N8 O Te4 -","- C448 H608 Au32 N32 O4 Te16 -","4","1","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0635","0.0379","","","0.0693","0.0784","","","","","","1.049","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131705","6.352","0.0007","12.4378","0.0009","43.97","0.003","90","","90","","90","","3473.8","0.5","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C4 H24 I10 N6 Pb3 -","- C4 H24 I10 N6 Pb3 -","- C16 H96 I40 N24 Pb12 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0863","0.0597","","","0.1254","0.127","","","","3.4","3.4","2.8","","","","has coordinates","241874","2020-10-21","18:00:00",""
"4131706","6.3729","0.0004","12.5435","0.0008","31.376","0.002","90","","90","","90","","2508.1","0.3","293","","293","","","","","","","","","5","B m m 2","B 2 -2","38","Guanidinium Methylammonium Lead Iodide","","","- C3 H18 I7 N5 Pb2 -","- C3 H18 I7 N5 Pb2 -","- C12 H72 I28 N20 Pb8 -","4","0.5","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0898","0.0555","","","0.1099","0.1126","","","","2.66","2.66","2.19","","","","has coordinates","241875","2020-10-21","18:00:00",""
"4131707","6.4286","0.0006","12.4577","0.0009","18.8258","0.0013","90","","90","","90","","1507.7","0.2","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C2 H12 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C8 H56 I16 N16 Pb4 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0677","0.0575","","","0.1356","0.1361","","","","3.6","3.6","3.18","","","","has coordinates","241876","2020-10-21","18:00:00",""
"4131708","12.8614","0.0001","17.9146","0.0002","18.8871","0.0002","90","","90","","90","","4351.72","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Br2 F N3 O2 Rh S2 -","- C49 H41 Br2 F N3 O2 Rh S2 -","- C196 H164 Br8 F4 N12 O8 Rh4 S8 -","4","1","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","1.54178","CuKα","","0.0279","0.0265","","","0.0678","0.0687","","","","","","1.063","","","","has coordinates,has disorder","241877","2020-10-21","18:00:00",""
"4131709","10.3202","0.0005","15.5911","0.0006","19.1946","0.0008","78.028","0.001","74.768","0.002","83.519","0.002","2909.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","MH127B","","","- C33 H34 N2 O4 S -","- C33 H34 N2 O4 S -","- C132 H136 N8 O16 S4 -","4","4","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","0.71073","MoKα","","0.044","0.0377","","","0.0889","0.0918","","","","","","1.038","","","","has coordinates","241878","2020-10-21","18:00:00",""
"4131710","7.792","0.0003","10.0353","0.0004","11.4214","0.0005","95.921","0.002","90.442","0.003","111.095","0.002","827.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 P2 Si4 -","- C32 H42 P2 Si4 -","- C32 H42 P2 Si4 -","1","0.5","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0533","0.0459","","","0.1227","0.1257","","","","","","1.174","","","","has coordinates","241879","2020-10-21","18:00:00",""
"4131711","12.0012","0.0006","6.1504","0.0003","22.4927","0.0011","90","","97.606","0.003","90","","1645.63","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H33 P3 Si3 -","- C36 H33 P3 Si3 -","- C72 H66 P6 Si6 -","2","1","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0957","0.0589","","","0.1118","0.1258","","","","","","1.021","","","","has coordinates,has disorder","241880","2020-10-21","18:00:00",""
"4131712","10.792","0.0011","10.7448","0.0011","27.763","0.003","90","","98.65","0.002","90","","3182.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","2","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","0.71073","MoKα","","0.0882","0.0615","","","0.1354","0.1498","","","","","","1.066","","","","has coordinates","241881","2020-10-21","18:00:00",""
"4131713","17.5698","0.0004","8.3155","0.0002","11.8728","0.0003","90","","99.083","0.001","90","","1712.88","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0556","0.0449","","","0.1182","0.1259","","","","","","1.051","","","","has coordinates","241882","2020-10-21","18:00:00",""
"4131714","7.1734","0.0004","14.6205","0.0009","15.2005","0.0009","90","","90","","90","","1594.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0307","0.0305","","","0.0781","0.0782","","","","","","1.061","","","","has coordinates","241883","2020-10-21","18:00:00",""
"4131715","10.8118","0.0005","8.8697","0.0004","11.4025","0.0005","90","","104.619","0.002","90","","1058.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0324","0.0286","","","0.0678","0.0699","","","","","","1.051","","","","has coordinates","241884","2020-10-21","18:00:00",""
"4131716","9.4222","0.0006","7.4529","0.0005","15.4791","0.0012","90","","107.689","0.002","90","","1035.59","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.028","0.0272","","","0.0736","0.0744","","","","","","1.037","","","","has coordinates","241885","2020-10-21","18:00:00",""
"4131717","13.9532","0.0009","12.0587","0.0007","20.2467","0.0012","90","","90","","90","","3406.7","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0492","0.0429","","","0.1505","0.157","","","","","","1.304","","","","has coordinates","241886","2020-10-21","18:00:00",""
"4131718","8.5702","0.0002","10.0842","0.0002","10.0388","0.0002","90","","103.439","0.001","90","","843.83","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0319","0.0304","","","0.0911","0.0938","","","","","","0.85","","","","has coordinates","241887","2020-10-21","18:00:00",""
"4131719","10.9607","0.0005","6.5772","0.0003","29.7316","0.0012","90","","110.131","0.002","90","","2012.43","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C92 H108 N4 O28 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0527","0.0456","","","0.1135","0.1183","","","","","","1.056","","","","has coordinates","241888","2020-10-21","18:00:00",""
"4131720","8.956","0.0007","12.4495","0.0009","23.3598","0.0018","81.01","0.004","89.536","0.003","83.021","0.004","2553.4","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C66.75 H57.75 -","- C66.75 H57.75 -","- C133.5 H115.5 -","2","1","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0951","0.0818","","","0.2228","0.235","","","","","","1.073","","","","has coordinates","241889","2020-10-21","18:00:00",""
"4131721","19.9832","0.0008","5.5314","0.0002","22.3395","0.0012","90","","116.496","0.001","90","","2209.94","0.17","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0605","0.0467","","","0.1295","0.1414","","","","","","1.044","","","","has coordinates","241890","2020-10-21","18:00:00",""
"4131722","46.692","0.002","16.5713","0.0008","7.7012","0.0005","90","","93.04","0.003","90","","5950.4","0.5","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 -","- C66 H56 -","- C264 H224 -","4","0.5","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0958","0.0758","","","0.2243","0.2519","","","","","","1.05","","","","has coordinates","241891","2020-10-21","18:00:00",""
"4131723","7.8079","0.0005","5.2899","0.0003","26.0814","0.0017","90","","98.358","0.002","90","","1065.8","0.11","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C68 H48 -","2","0.5","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0528","0.0461","","","0.1254","0.1284","","","","","","1.115","","","","has coordinates","241892","2020-10-21","18:00:00",""
"4131724","11.263","0.0006","11.6823","0.0004","20.3071","0.0007","90","","90","","90","","2671.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Dhanjee, Heemal H.; Kobayashi, Yutaka; Buergler, Jonas F.; McMahon, Travis C.; Haley, Matthew W.; Howell, Jennifer M.; Fujiwara, Koichi; Wood, John L.","Total Syntheses of (+)- and (-)-Tetrapetalones A and C.","Journal of the American Chemical Society","2017","139","42","14901","14904","10.1021/jacs.7b09358","","","0.71073","MoKα","","0.0534","0.044","","","0.119","0.1234","","","","","","1.066","","","","has coordinates","241893","2020-10-21","18:00:00",""
"4131725","23.005","0.005","14.524","0.003","30.713","0.008","90","","92.742","0.009","90","","10250","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H88 As3 Fe N4 O17 -","- C105 H88 As3 Fe N4 O17 -","- C420 H352 As12 Fe4 N16 O68 -","4","1","","Johnstone, Timothy C.; Nolan, Elizabeth M.","Determination of the Molecular Structures of Ferric Enterobactin and Ferric Enantioenterobactin Using Racemic Crystallography.","Journal of the American Chemical Society","2017","139","42","15245","15250","10.1021/jacs.7b09375","","","0.71073","MoKα","","0.1856","0.0974","","","0.2225","0.2675","","","","","","1.031","","","","has coordinates","241894","2020-10-21","18:00:00",""
"4131726","23.8409","0.0011","23.8409","0.0011","19.7162","0.001","90","","90","","90","","11206.5","0.9","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C84 H60 F6 O38 Th6 -","- C84 H60 F6 O38 Th6 -","- C168 H120 F12 O76 Th12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0444","0.035","","","0.0942","0.1007","","","","","","1.048","","","","has coordinates","241895","2020-10-21","18:00:00",""
"4131727","23.9392","0.0011","23.9392","0.0011","15.6881","0.0008","90","","90","","90","","8990.6","0.7","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C84 H56 O32 Zr6 -","- C84 H56 O32 Zr6 -","- C168 H112 O64 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.131","0.1084","","","0.3373","0.3533","","","","","","1.398","","","","has coordinates","241896","2020-10-21","18:00:00",""
"4131728","24.1119","0.0014","24.1119","0.0014","19.0718","0.0011","90","","90","","90","","11088","1.1","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C71.57 H48 O54.18 Th6 U4.05 -","- C71.564 H48 O54.128 Th6 U4.044 -","- C143.128 H96 O108.256 Th12 U8.088 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.1066","0.098","","","0.2063","0.2109","","","","","","1.217","","","","has coordinates,has disorder","241897","2020-10-21","18:00:00",""
"4131729","24.4443","0.0011","24.4443","0.0011","14.3985","0.0006","90","","90","","90","","8603.4","0.7","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O32 Zr6 -","- C64 H48 O32 Zr6 -","- C128 H96 O64 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0797","0.053","","","0.1489","0.1615","","","","","","1.072","","","","has coordinates","241898","2020-10-21","18:00:00",""
"4131730","24.0528","0.0009","24.0528","0.0009","15.706","0.0007","90","","90","","90","","9086.5","0.6","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O40.08 U0.88 Zr6 -","- C64 H48 O40.208 U0.878 Zr6 -","- C128 H96 O80.416 U1.756 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0869","0.0586","","","0.182","0.2046","","","","","","1.048","","","","has coordinates","241899","2020-10-21","18:00:00",""
"4131731","24.9768","0.0018","24.9768","0.0018","15.9864","0.0012","90","","90","","90","","9973","1.3","223","2","223","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C70 H62 N2 O34 U6 -","- C70 H62 N2 O34 U6 -","- C140 H124 N4 O68 U12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0838","0.053","","","0.1298","0.1525","","","","","","1.022","","","","has coordinates","241900","2020-10-21","18:00:00",""
"4131732","34.0484","0.0016","34.0484","0.0016","34.0484","0.0016","90","","90","","90","","39472","3","302","2","302","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H90 N6 O38 Th6 -","- C120 H90 N6 O38 Th6 -","- C480 H360 N24 O152 Th24 -","4","0.0208333","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0423","0.0352","","","0.0868","0.0891","","","","","","1.085","","","","has coordinates","241901","2020-10-21","18:00:00",""
"4131733","32.8216","0.001","32.8216","0.001","32.8216","0.001","90","","90","","90","","35357.3","1.9","223","2","223","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C120 H72 O32 Zr6 -","- C120 H72 O32 Zr6 -","- C480 H288 O128 Zr24 -","4","0.0208333","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.069","0.0593","","","0.1679","0.1785","","","","","","1.099","","","","has coordinates","241902","2020-10-21","18:00:00",""
"4131734","24.8785","0.0008","24.8785","0.0008","17.5034","0.0006","90","","90","","90","","10833.6","0.6","223","2","223","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 Th6 -","- C64 H48 O34 Th6 -","- C128 H96 O68 Th12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0514","0.0335","","","0.0872","0.0955","","","","","","1.037","","","","has coordinates","241903","2020-10-21","18:00:00",""
"4131735","11.5248","0.001","11.5614","0.001","16.683","0.002","100.5","0.001","98.71","0.001","114.73","0.001","1919.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tris(tris(dimethylsilyl)methyl)lanthanum","","- C21 H63 La Si9 -","- C21 H63 La Si9 -","- C42 H126 La2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.027","0.0222","","","0.0581","0.0628","","","","","","0.693","","","","has coordinates","241904","2020-10-21","18:00:00",""
"4131736","11.4598","0.0006","11.4911","0.0006","16.6786","0.0009","100.275","0.0008","98.368","0.0007","114.643","0.0007","1903.98","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H63 Pr Si9 -","- C21 H63 Pr Si9 -","- C42 H126 Pr2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0304","0.0248","","","0.0624","0.0684","","","","","","0.72","","","","has coordinates","241905","2020-10-21","18:00:00",""
"4131737","9.4802","0.001","11.7428","0.0013","20.872","0.002","96.46","0.0017","97.125","0.0017","112.569","0.0015","2096.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H66 Nd Si9 -","- C24 H66 Nd Si9 -","- C48 H132 Nd2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0389","0.0299","","","0.0617","0.0665","","","","","","1.032","","","","has coordinates","241906","2020-10-21","18:00:00",""
"4131738","11.5041","0.001","11.5417","0.001","16.7043","0.0015","100.352","0.0015","98.519","0.0015","114.706","0.0014","1919.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tris(tris(dimethylsilyl)methyl)cerium","","- C21 H63 Ce Si9 -","- C21 H63 Ce Si9 -","- C42 H126 Ce2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0419","0.0304","","","0.0744","0.0829","","","","","","0.786","","","","has coordinates","241907","2020-10-21","18:00:00",""
"4131739","11.9911","0.0009","8.7896","0.0006","12.6256","0.0012","90","","100.063","0.008","90","","1310.23","0.19","169.9","","169.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 Co N4 -","- C27 H30 Br2 Co N4 -","- C54 H60 Br4 Co2 N8 -","2","1","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.71073","MoKα","","0.0721","0.0593","","","0.1322","0.1449","","","","","","1.039","","","","has coordinates","241908","2020-10-21","18:00:00",""
"4131740","10.5943","0.0005","16.009","0.0006","21.0879","0.0011","90","","90.706","0.004","90","","3576.3","0.3","183.1","","183.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Co N4 -","- C38 H46 Cl2 Co N4 -","- C152 H184 Cl8 Co4 N16 -","4","2","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.7107","MoKα","","0.0943","0.054","","","0.0808","0.0972","","","","","","0.993","","","","has coordinates","241909","2020-10-21","18:00:00",""
"4131741","8.5539","0.0006","7.6851","0.0005","10.5736","0.0007","90","","113.779","0.004","90","","636.08","0.08","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0274","0.0272","","","0.0716","0.0717","","","","","","1.084","","","","has coordinates","241910","2020-10-21","18:00:00",""
"4131742","8.7851","0.0006","7.3139","0.0005","10.2839","0.0007","90","","90.77","0.004","90","","660.72","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C28 H38 N2 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0283","0.0268","","","0.0686","0.0694","","","","","","1.081","","","","has coordinates","241911","2020-10-21","18:00:00",""
"4131743","7.557","0.0005","11.6693","0.0008","21.4501","0.0015","90","","90","","90","","1891.6","0.2","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0245","0.024","","","0.0606","0.0609","","","","","","1.053","","","","has coordinates","241912","2020-10-21","18:00:00",""
"4131744","17.4551","0.0002","25.0058","0.0003","33.3734","0.0003","90","","90","","90","","14566.8","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O3 Si -","- C26 H42 O3 Si -","- C624 H1008 O72 Si24 -","24","6","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54184","CuKα","","0.0389","0.0364","","","0.0894","0.0912","","","","","","1.016","","","","has coordinates,has disorder","241913","2020-10-21","18:00:00",""
"4131745","12.1338","0.0002","17.6931","0.0004","18.5004","0.0004","90","","103.389","0.002","90","","3863.8","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F12 Mo O6 Si -","- C30 H44 F12 Mo O6 Si -","- C120 H176 F48 Mo4 O24 Si4 -","4","1","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0434","0.0354","","","0.0817","0.0854","","","","","","1.044","","","","has coordinates","241914","2020-10-21","18:00:00",""
"4131746","14.2097","0.0006","16.6236","0.0008","11.1509","0.0006","90","","90","","90","","2634","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H9 F27 Mo O3 -","- C18 H9 F27 Mo O3 -","- C72 H36 F108 Mo4 O12 -","4","0.5","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0328","0.0298","","","0.0792","0.0827","","","","","","1.036","","","","has coordinates,has disorder","241914","2020-10-21","18:00:00",""
"4131747","9.9392","0.0002","10.796","0.0002","32.3003","0.0004","90","","96.08","0.001","90","","3446.44","0.1","80","1","80","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C176 H184 N8 O16 -","8","1","","Liu, Qi-Sheng; Wang, De-Yin; Yang, Zhi-Jun; Luan, Yu-Xin; Yang, Jin-Fei; Li, Jiang-Fei; Pu, You-Ge; Ye, Mengchun","Ni-Al Bimetallic Catalyzed Enantioselective Cycloaddition of Cyclopropyl Carboxamide with Alkyne.","Journal of the American Chemical Society","2017","139","50","18150","18153","10.1021/jacs.7b09947","","x-ray","1.54184","CuKα","","0.0384","0.0365","","","0.0934","0.0945","","","","","","1.074","","","","has coordinates,has disorder","241915","2020-10-21","18:00:00",""
"4131748","7.7335","0.0001","14.1534","0.0002","14.5834","0.0002","77.005","0.001","87.584","0.001","89.69","0.001","1553.95","0.04","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H54 O -","- C36 H54 O -","- C72 H108 O2 -","2","2","","Wang, Guang-Zu; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Irradiation-Induced Heck Reaction of Unactivated Alkyl Halides at Room Temperature.","Journal of the American Chemical Society","2017","139","50","18307","18312","10.1021/jacs.7b10009","","","1.54184","CuKα","","0.055","0.0517","","","0.1471","0.1517","","","","","","1.061","","","","has coordinates","241916","2020-10-21","18:00:00",""
"4131749","8.1835","0.0006","14.6901","0.001","11.1371","0.0008","90","","90.394","0.004","90","","1338.83","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","1","","Tay, Nicholas E. S.; Nicewicz, David A.","Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis.","Journal of the American Chemical Society","2017","139","45","16100","16104","10.1021/jacs.7b10076","","","1.54178","CuKα","","0.0368","0.0332","","","0.0873","0.0903","","","","","","1.039","","","","has coordinates","241917","2020-10-21","18:00:00",""
"4131753","29.65","0.0018","17.669","0.0012","31.499","0.002","90","","105.974","0.002","90","","15864.7","1.8","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C174 H222 B6 Fe K N6 O12 -","- C174 H222 B6 Fe K N6 O12 -","- C696 H888 B24 Fe4 K4 N24 O48 -","4","0.5","","Wang, Lei; Li, Jing; Zhang, Li; Fang, Yong; Chen, Chao; Zhao, Yue; Song, You; Deng, Liang; Tan, Gengwen; Wang, Xinping; Power, Philip P.","Isolable Borane-Based Diradical and Triradical Fused by a Diamagnetic Transition Metal Ion.","Journal of the American Chemical Society","2017","139","49","17723","17726","10.1021/jacs.7b10141","","","0.71073","MoKα","","0.0721","0.0626","","","0.1731","0.1844","","","","","","1.03","","","","has coordinates,has disorder","241921","2020-10-21","18:00:00",""
"4131754","14.0035","0.0012","17.0728","0.0014","28.873","0.002","82.992","0.002","82.381","0.003","73.241","0.003","6525.8","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H150 B6 Fe N6 -","- C138 H150 B6 Fe N6 -","- C276 H300 B12 Fe2 N12 -","2","1","","Wang, Lei; Li, Jing; Zhang, Li; Fang, Yong; Chen, Chao; Zhao, Yue; Song, You; Deng, Liang; Tan, Gengwen; Wang, Xinping; Power, Philip P.","Isolable Borane-Based Diradical and Triradical Fused by a Diamagnetic Transition Metal Ion.","Journal of the American Chemical Society","2017","139","49","17723","17726","10.1021/jacs.7b10141","","","0.71073","MoKα","","0.1432","0.0771","","","0.1897","0.2228","","","","","","1.021","","","","has coordinates,has disorder","241922","2020-10-21","18:00:00",""
"4131755","8.5432","0.001","17.447","0.002","13.1073","0.0015","90","","96.302","0.003","90","","1941.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TriPO-PN","","","- C21 H16 F6 N O P -","- C21 H16 F6 N O P -","- C84 H64 F24 N4 O4 P4 -","4","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0865","0.0657","","","0.1634","0.1774","","","","","","1.054","","","","has coordinates","241923","2020-10-21","18:00:00",""
"4131756","7.6381","0.0008","19.931","0.002","20.56","0.002","90","","90","","90","","3130","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TriPO-C","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0935","0.0649","","","0.1289","0.1411","","","","","","1.099","","","","has coordinates","241924","2020-10-21","18:00:00",""
"4131757","22.2348","0.0015","12.2611","0.0007","15.1377","0.0009","90","","90","","90","","4126.9","0.4","100","2","99.98","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 F3 N2 O3 Os P3 S Si -","- C37 H56 F3 N2 O3 Os P3 S Si -","- C148 H224 F12 N8 O12 Os4 P12 S4 Si4 -","4","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0367","0.0291","","","0.0479","0.0497","","","","","","0.998","","","","has coordinates","241925","2020-10-21","18:00:00",""
"4131758","11.1667","0.0018","11.2875","0.0018","16.677","0.003","100.081","0.006","94.097","0.006","118.576","0.005","1788","0.5","100","2","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Os P3 Si -","- C36 H54 Os P3 Si -","- C72 H108 Os2 P6 Si2 -","2","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0247","0.0205","","","0.0483","0.0499","","","","","","1.068","","","","has coordinates","241926","2020-10-21","18:00:00",""
"4131759","7.2463","0.0005","9.548","0.0007","11.2269","0.0008","72.6","0.0018","72.9177","0.0019","86.0255","0.0018","708.37","0.09","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C32 H30 N6 O8 -","2","1","","Hernandez, Lucas W.; Pospech, Jola; Klöckner, Ulrich; Bingham, Tanner W.; Sarlah, David","Synthesis of (+)-Pancratistatins via Catalytic Desymmetrization of Benzene.","Journal of the American Chemical Society","2017","139","44","15656","15659","10.1021/jacs.7b10351","","x-ray","0.71073","MoKα","","0.0334","0.0304","","","0.0747","0.077","","","","","","1.048","","","","has coordinates","241927","2020-10-21","18:00:00",""
"4131760","52.0957","0.0008","52.0957","0.0008","52.0957","0.0008","90","","90","","90","","141386","4","100","0.1","100","0.1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C468 Ag78 F126 P12 S42 -","- C468 Ag78 F126 P12 S42 -","- C3744 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.1594","0.1029","","","0.2785","0.3434","","","","","","1.01","","","","has coordinates","241928","2020-10-21","18:00:00",""
"4131761","43.0185","0.001","48.2191","0.0013","30.0392","0.0007","90","","90","","90","","62311","3","173.01","0.1","173.01","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C456 H320 Ag78 F126 P12 S42 -","- C456 H320 Ag78 F126 P12 S42 -","- C1824 H1280 Ag312 F504 P48 S168 -","4","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","","1.54184","CuKα","","0.0943","0.0716","","","0.1949","0.2112","","","","","","1.058","","","","has coordinates","241929","2020-10-21","18:00:00",""
"4131762","51.7906","0.0004","51.7906","0.0004","51.7906","0.0004","90","","90","","90","","138916","1.9","119.99","0.1","119.99","0.1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C468 H348 Ag78 F126 P12 S42 -","- C468 H348 Ag78 F126 P12 S42 -","- C3744 H2784 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.0902","0.0615","","","0.1749","0.2142","","","","","","0.914","","","","has coordinates","241930","2020-10-21","18:00:00",""
"4131763","9.914","0.01","16.332","0.014","6.869","0.003","90","","95.66","0.03","90","","1106.8","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Br4 Mn N -","- C4 H11 Br4 Mn N -","- C16 H44 Br16 Mn4 N4 -","4","1","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.0733","0.052","","","0.0774","0.0843","","","","","","0.859","","","","has coordinates","241931","2020-10-21","18:00:00",""
"4131764","10.031","0.019","10.031","0.019","6.977","0.019","90","","90","","120","","608","2","433","2","433","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C0.21 H0.58 Br0.21 Mn0.05 N0.05 -","- C0.210442 H0.552411 Br0.210505 Mn0.0526316 N0.0526105 -","- C7.9968 H20.9916 Br7.9992 Mn2 N1.9992 -","38","1.58333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.1973","0.1791","","","0.3923","0.4054","","","","","","1.41","","","","has coordinates,has disorder","241932","2020-10-21","18:00:00",""
"4131765","18.2632","0.0003","17.7081","0.0003","21.6183","0.0003","90","","100.067","0.0013","90","","6883.85","0.19","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H106 Bi2 N4 O2 S Si4 -","- C62 H106 Bi2 N4 O2 S Si4 -","- C248 H424 Bi8 N16 O8 S4 Si16 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0467","0.0287","","","0.0561","0.0631","","","","","","1.039","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131766","12.2335","0.0002","16.5506","0.0002","18.8461","0.0002","91.8495","0.0011","90.7584","0.0013","105.556","0.0015","3673.15","0.09","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H106 Bi2 N4 O2 S5 Si4 -","- C56 H92 Bi2 N4 O2 S5 Si4 -","- C112 H184 Bi4 N8 O4 S10 Si8 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0735","0.0742","","","","","","1.112","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131767","8.2256","0.0003","13.5394","0.0005","18.0192","0.0006","101.127","0.003","91.135","0.003","101.759","0.003","1924.09","0.12","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H60 Bi2 N4 O2 S Si4 -","- C24 H60 Bi2 N4 O2 S Si4 -","- C48 H120 Bi4 N8 O4 S2 Si8 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0454","0.0334","","","0.0595","0.0647","","","","","","1.007","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131768","13.4362","0.0005","10.8026","0.0004","28.5609","0.0008","90","","92.026","0.003","90","","4142.9","0.2","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C96 H240 Bi8 N16 O8 S12 Si16 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0639","0.0498","","","0.1204","0.128","","","","","","1.081","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131769","15.7886","0.0003","12.3313","0.0002","18.8823","0.0003","90","","106.214","0.0016","90","","3530.05","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H96 N2 O3 Si2 -","- C84 H96 N2 O3 Si2 -","- C168 H192 N4 O6 Si4 -","2","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0516","0.0467","","","0.1143","0.1185","","","","","","1.056","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131770","23.9315","0.0005","19.534","0.0004","18.5814","0.0003","90","","93.4128","0.0018","90","","8671","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H59 Li N O3 Si -","- C48 H59 Li N O3 Si -","- C384 H472 Li8 N8 O24 Si8 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0738","0.0641","","","0.1753","0.1858","","","","","","1.035","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131771","18.0673","0.0003","19.7078","0.0003","24.446","0.0004","90","","90","","90","","8704.4","0.2","120","0.1","120","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C104 H110 Bi Cl N2 O Si2 -","- C104 H110 Bi Cl N2 O Si2 -","- C416 H440 Bi4 Cl4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0307","0.026","","","0.0527","0.0547","","","","","","1.036","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131772","24.5463","0.0006","11.1899","0.0003","23.9777","0.0007","90","","101.928","0.003","90","","6443.8","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Bi N2 O Si2 -","- C76 H78 Bi N2 O Si2 -","- C304 H312 Bi4 N8 O4 Si8 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0328","0.0271","","","0.0526","0.0549","","","","","","1.059","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131773","12.7552","0.0005","24.9034","0.0007","24.5987","0.0007","90","","103.143","0.004","90","","7609","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H98 Bi N2 O3 Si2 -","- C76 H78 Bi N2 O Si2 -","- C304 H312 Bi4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0757","0.07","","","0.1732","0.1769","","","","","","1.044","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131774","13.8994","0.0003","14.53","0.0002","21.2083","0.0003","108.747","0.0014","92.051","0.0016","108.855","0.0017","3791.42","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H100 N2 O Si2 -","- C89 H100 N2 O Si2 -","- C178 H200 N4 O2 Si4 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.049","0.0439","","","0.1226","0.1266","","","","","","1.054","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131775","10.51169","0.00015","31.3488","0.0005","20.941","0.0003","90","","90.9327","0.0013","90","","6899.75","0.18","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H90 N2 O Pb Si2 -","- C82 H90 N2 O Pb Si2 -","- C328 H360 N8 O4 Pb4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0538","0.0378","","","0.0713","0.0765","","","","","","1.091","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131776","9.9952","0.0002","18.9141","0.0004","20.7293","0.0004","103.009","0.0019","97.9369","0.0018","99.1671","0.0019","3707.38","0.14","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 N2 O3 Pb Si2 -","- C84 H98 N2 O3 Pb Si2 -","- C168 H196 N4 O6 Pb2 Si4 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0338","0.0288","","","0.0688","0.0713","","","","","","1.005","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131777","19.038","0.0002","27.4178","0.0003","29.8069","0.0003","90","","90","","90","","15558.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H94 Bi N2 O S4 Si2 -","- C90 H94 Bi N2 O S4 Si2 -","- C720 H752 Bi8 N16 O8 S32 Si16 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0567","0.0481","","","0.1428","0.1503","","","","","","1.125","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131778","9.2754","0.0003","10.71","0.0004","12.1411","0.0004","90","","101.584","0.002","90","","1181.52","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 B N O5 -","- C24 H34 B N O5 -","- C48 H68 B2 N2 O10 -","2","1","","Lovinger, Gabriel J.; Morken, James P.","Ni-Catalyzed Enantioselective Conjunctive Coupling with C(sp<sup>3</sup>) Electrophiles: A Radical-Ionic Mechanistic Dichotomy.","Journal of the American Chemical Society","2017","139","48","17293","17296","10.1021/jacs.7b10519","","","1.54178","CuKα","","0.0499","0.0489","","","0.128","0.1291","","","","","","1.018","","","","has coordinates,has disorder","241934","2020-10-21","18:00:00",""
"4131779","10.3704","0.0011","33.835","0.003","12.9525","0.0012","90","","97.371","0.003","90","","4507.2","0.8","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 N4 O Si5 -","- C38 H66 N4 O Si5 -","- C152 H264 N16 O4 Si20 -","4","1","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.1366","0.0941","","","0.2488","0.2777","","","","","","1.217","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131780","13.987","0.01","21.397","0.015","27.532","0.019","90","","92.58","0.02","90","","8231","10","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O Si2 -","- C39 H63 N3 O Si2 -","- C312 H504 N24 O8 Si16 -","8","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.1059","0.0788","","","0.1647","0.1786","","","","","","1.108","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131781","13.2302","0.0014","11.9923","0.0013","28.62","0.003","90","","96.613","0.003","90","","4510.7","0.8","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H67 N3 O2 Si5 -","- C37 H67 N3 O2 Si5 -","- C148 H268 N12 O8 Si20 -","4","1","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0832","0.0563","","","0.1234","0.1342","","","","","","1.082","","","","has coordinates","241935","2020-10-21","18:00:00",""
"4131782","12.4388","0.0005","20.3429","0.0007","20.7659","0.0008","103.477","0.001","99.622","0.001","94.491","0.001","5000.2","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C43 H75 N5 O Si5 -","- C43 H75 N5 O Si5 -","- C172 H300 N20 O4 Si20 -","4","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0748","0.0476","","","0.0957","0.1063","","","","","","1.025","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131783","34.475","0.003","10.6878","0.0009","22.191","0.0019","90","","107.847","0.003","90","","7783.1","1.2","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O Si2 -","- C39 H63 N3 O Si2 -","- C312 H504 N24 O8 Si16 -","8","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0704","0.0491","","","0.1006","0.1084","","","","","","1.081","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131784","14.8468","0.0005","14.9675","0.0005","15.155","0.0005","88.6127","0.0005","86.0449","0.0005","61.5619","0.0004","2954.16","0.17","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H55 B F15 Mg N6 O2 Si3 -","- C59 H55 B F15 Mg N6 O2 Si3 -","- C118 H110 B2 F30 Mg2 N12 O4 Si6 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0539","0.0402","","","0.1025","0.1116","","","","","","1.024","","","","has coordinates","241936","2020-10-21","18:00:00",""
"4131785","10.7246","0.0011","16.4283","0.0017","16.4561","0.0017","113.938","0.0013","101.52","0.0015","104.536","0.0015","2411.5","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H64 N6 Si3 Zn -","- C49 H64 N6 Si3 Zn -","- C98 H128 N12 Si6 Zn2 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0417","0.0349","","","0.0909","0.0953","","","","","","1.047","","","","has coordinates","241937","2020-10-21","18:00:00",""
"4131786","9.4147","0.0004","18.9452","0.0008","12.4092","0.0005","90","","100.67","0.0006","90","","2175.08","0.16","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H58 Mg N6 O2 Si3 -","- C44 H58 Mg N6 O2 Si3 -","- C88 H116 Mg2 N12 O4 Si6 -","2","0.5","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0536","0.0389","","","0.0948","0.1032","","","","","","1.029","","","","has coordinates","241938","2020-10-21","18:00:00",""
"4131787","26.281","0.0014","29.462","0.0016","18.3223","0.001","90","","90","","90","","14186.8","1.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H70 B F15 Mg N6 Si3 -","- C73 H70 B F15 Mg N6 Si3 -","- C584 H560 B8 F120 Mg8 N48 Si24 -","8","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.143","0.0616","","","0.1274","0.158","","","","","","1.09","","","","has coordinates","241939","2020-10-21","18:00:00",""
"4131788","11.149","0.0004","12.253","0.0004","17.8168","0.0006","79.2769","0.0005","75.4065","0.0005","65.8128","0.0005","2139.15","0.13","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Br N6 Si3 Zn -","- C40 H54 Br N6 Si3 Zn -","- C80 H108 Br2 N12 Si6 Zn2 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0938","0.0499","","","0.1038","0.12","","","","","","1.006","","","","has coordinates","241940","2020-10-21","18:00:00",""
"4131789","16.8117","0.0008","23.2859","0.0011","18.0206","0.0008","90","","116.431","0.0006","90","","6317.2","0.5","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 B F15 Mg N6 O2 Si3 -","- C62 H58 B F15 Mg N6 O2 Si3 -","- C248 H232 B4 F60 Mg4 N24 O8 Si12 -","4","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0589","0.04","","","0.0965","0.1082","","","","","","1.018","","","","has coordinates","241941","2020-10-21","18:00:00",""
"4131790","15.8196","0.0006","16.1882","0.0007","16.4818","0.0007","87.644","0.001","62.734","0.001","60.921","0.001","3188.1","0.2","130","2","130","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H61 B F15 N6 Si3 Zn -","- C64 H61 B F15 N6 Si3 Zn -","- C128 H122 B2 F30 N12 Si6 Zn2 -","2","2","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0571","0.051","","","0.1329","0.139","","","","","","1.027","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4131791","23.2934","0.0008","19.8397","0.0008","37.1735","0.0013","90","","100.129","0.002","90","","16911.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C195.55 H195.55 Cl10.66 O20 -","- C195.553 H195.553 Cl10.659 O20 -","- C782.212 H782.212 Cl42.636 O80 -","4","1","","Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don","Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.","Journal of the American Chemical Society","2017","139","51","18456","18459","10.1021/jacs.7b10902","","","0.7749","","","0.122","0.0979","","","0.2286","0.2418","","","","","","1.126","","","","has coordinates","241943","2020-10-21","18:00:00",""
"4131792","12.9527","0.0007","16.0679","0.0008","16.7417","0.0009","70.269","0.003","77.377","0.003","86.182","0.003","3200.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Cl4 O4 Se3 -","- C80 H70 Cl4 O4 Se3 -","- C160 H140 Cl8 O8 Se6 -","2","1","","Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don","Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.","Journal of the American Chemical Society","2017","139","51","18456","18459","10.1021/jacs.7b10902","","","0.7749","","","0.1165","0.0832","","","0.2348","0.2566","","","","","","1.046","","","","has coordinates","241944","2020-10-21","18:00:00",""
"4131793","20.175","0.004","53.239","0.011","54.291","0.011","81.53","0.03","83.58","0.03","81.62","0.03","56818","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H630 Gd70 N40 O540 -","- C210 H290 Gd70 O380 -","- C420 H580 Gd140 O760 -","2","1","","Zheng, Xiu-Ying; Jiang, You-Hong; Zhuang, Gui-Lin; Liu, Da-Peng; Liao, Hong-Gang; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","A Gigantic Molecular Wheel of {Gd<sub>140</sub>}: A New Member of the Molecular Wheel Family.","Journal of the American Chemical Society","2017","139","50","18178","18181","10.1021/jacs.7b11112","","","0.70045","","","0.2047","0.1269","","","0.3581","0.4011","","","","","","1.148","","","","has coordinates","241945","2020-10-21","18:00:00",""
"4131794","8.712","0.0015","14.672","0.003","15.413","0.003","88.518","0.006","86.632","0.007","81.287","0.006","1943.7","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Al Rh Si2 -","- C40 H68 Al Rh Si2 -","- C80 H136 Al2 Rh2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.083","0.0577","","","0.1155","0.1299","","","","","","1.049","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131795","8.7203","0.001","14.6657","0.0017","15.3905","0.0018","88.56","0.003","86.647","0.004","81.429","0.003","1942.7","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Al Ir Si2 -","- C40 H68 Al Ir Si2 -","- C80 H136 Al2 Ir2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.041","0.0346","","","0.0964","0.1059","","","","","","0.775","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131796","12.7648","0.0015","28.618","0.003","15.3565","0.0017","90","","113.354","0.0018","90","","5150.2","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 Al N2 Rh Si2 -","- C54 H86 Al N2 Rh Si2 -","- C216 H344 Al4 N8 Rh4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.0538","0.046","","","0.1036","0.1111","","","","","","1.124","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131797","13.4845","0.0016","14.673","0.0016","14.8811","0.0019","73.347","0.007","71.377","0.007","68.568","0.007","2548.6","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H170 Al2 Ir2 N4 Si4 -","- C107 H170 Al2 Ir2 N4 Si4 -","- C107 H170 Al2 Ir2 N4 Si4 -","1","0.5","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.0747","0.0602","","","0.117","0.1257","","","","","","1.068","","","","has coordinates,has disorder","241946","2020-10-21","18:00:00",""
"4131798","11.3068","0.0009","7.0845","0.0005","23.268","0.002","90","","96.544","0.008","90","","1851.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C80 H48 N16 S16 -","8","2","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","0.71073","MoKα","","0.0706","0.0513","","","0.1164","0.1283","","","","","","1.118","","","","has coordinates,has disorder","241948","2020-10-21","18:00:00",""
"4131799","12.1009","0.0004","14.7925","0.0006","17.7731","0.0005","76.557","0.003","82.335","0.002","85.44","0.003","3062.73","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H53 Cl7 N2 O P2 Ru S2 -","- C65.999 H52.998 Cl6.998 N2 O P2 Ru S2 -","- C131.998 H105.996 Cl13.996 N4 O2 P4 Ru2 S4 -","2","1","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","1.54184","CuKα","","0.0496","0.0433","","","0.1154","0.121","","","","","","1.039","","","","has coordinates,has disorder","241948","2020-10-21","18:00:00",""
"4131800","10.4363","0.0005","14.945","0.0008","15.1451","0.0008","82.763","0.004","77.136","0.004","88.273","0.004","2284.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 Cl3 O2 P2 Ru -","- C55 H43 Cl3 O2 P2 Ru -","- C110 H86 Cl6 O4 P4 Ru2 -","2","1","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","0.71073","MoKα","","0.0454","0.0348","","","0.0714","0.078","","","","","","1.035","","","","has coordinates","241948","2020-10-21","18:00:00",""
"4131809","11.9234","0.0011","14.1307","0.0012","14.189","0.0011","68.637","0.002","67.907","0.002","65.678","0.002","1955.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1843","0.0883","","","0.2309","0.3233","","","","","","0.869","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131810","11.9564","0.0013","14.1676","0.0017","14.2228","0.0015","69.048","0.003","67.782","0.003","65.55","0.004","1971.7","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2031","0.0929","","","0.2329","0.3064","","","","","","1.079","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131811","11.9603","0.0016","14.179","0.002","14.2356","0.0019","68.99","0.003","67.695","0.004","65.533","0.004","1974","0.5","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2108","0.1027","","","0.2865","0.3774","","","","","","1.086","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131812","11.9857","0.0016","14.187","0.002","14.267","0.002","69.105","0.004","67.658","0.004","65.451","0.004","1983.3","0.5","233","","233","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1981","0.0887","","","0.2599","0.3413","","","","","","0.966","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131813","12.001","0.002","14.205","0.002","14.266","0.002","69.224","0.004","67.495","0.004","65.403","0.004","1986.9","0.5","253","","253","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2139","0.0983","","","0.2721","0.3645","","","","","","1.022","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131814","12.061","0.003","14.19","0.004","14.292","0.004","69.463","0.008","67.245","0.008","65.456","0.006","1998.4","0.9","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2135","0.0877","","","0.2554","0.3429","","","","","","0.922","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131815","12.0427","0.0018","14.236","0.002","14.3149","0.0019","69.614","0.003","67.344","0.004","65.315","0.004","2005.7","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2168","0.0938","","","0.2529","0.355","","","","","","0.815","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131816","30.89","0.002","14.5763","0.0009","19.1589","0.0012","90","","97.7949","0.0015","90","","8546.8","0.9","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1196","0.0677","","","0.1862","0.2425","","","","","","0.802","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131817","31.07","0.003","14.5498","0.0011","19.176","0.0014","90","","97.356","0.002","90","","8597.4","1.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1166","0.0583","","","0.1446","0.1796","","","","","","1.017","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131818","31.171","0.002","14.5681","0.0008","19.2032","0.0011","90","","97.2997","0.0016","90","","8649.5","0.9","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1265","0.0627","","","0.153","0.189","","","","","","1.074","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131819","31.37","0.008","14.641","0.003","19.272","0.004","90","","97.17","0.004","90","","8782","3","233","","233","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1242","0.0606","","","0.1484","0.1809","","","","","","1.048","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131820","31.287","0.002","14.5786","0.001","19.1847","0.0013","90","","97.1376","0.0018","90","","8682.7","1","253","","253","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1523","0.0706","","","0.2157","0.2849","","","","","","0.858","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131821","31.368","0.003","14.5952","0.001","19.2014","0.0014","90","","97.0338","0.0018","90","","8724.7","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1511","0.0648","","","0.1549","0.1959","","","","","","1.015","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131822","31.414","0.003","14.5653","0.0013","19.2042","0.0017","90","","96.824","0.002","90","","8724.7","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1603","0.0646","","","0.1608","0.2038","","","","","","0.972","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131825","7.0224","0.0002","11.4699","0.0004","24.6868","0.0008","90","","90","","90","","1988.43","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O4 -","- C23 H22 F N O4 -","- C92 H88 F4 N4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Tracy, Jacob S.; Kalnmals, Christopher A.","Zn-ProPhenol Catalyzed Enantio- and Diastereoselective Direct Vinylogous Mannich Reactions between α,β- and β,γ-Butenolides and Aldimines.","Journal of the American Chemical Society","2017","139","50","18198","18201","10.1021/jacs.7b11361","","","1.54184","CuKα","","0.0258","0.0254","","","0.0679","0.0681","","","","","","1.039","","","","has coordinates","241960","2020-10-21","18:00:00",""
"4131829","33.0713","0.0012","63.499","0.003","32.3807","0.0011","90","","90","","90","","67999","5","230.01","","230.01","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C112 H176 Au21.34 Cu1.66 N S16 -","- C112 H176 Au21.341 Cu1.659 N S16 -","- C1792 H2816 Au341.456 Cu26.544 N16 S256 -","16","1","","Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao","Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.","Journal of the American Chemical Society","2017","139","49","17779","17782","10.1021/jacs.7b11491","","x-ray","1.54178","CuKα","","0.1072","0.0702","","","0.1685","0.1974","","","","","","1.071","","","","has coordinates","241964","2020-10-21","18:00:00",""
"4131882","10.8594","0.0011","19.4976","0.0016","37.261","0.003","90","","96.961","0.002","90","","7831.2","1.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H39 F4 Ni P -","- C50 H39 F4 Ni P -","- C400 H312 F32 Ni8 P8 -","8","2","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Nickel-Catalyzed Formation of 1,3-Dienes via a Highly Selective Cross-Tetramerization of Tetrafluoroethylene, Styrenes, Alkynes, and Ethylene.","Journal of the American Chemical Society","2017","139","49","17795","17798","10.1021/jacs.7b12007","","","0.71075","MoKα","","0.1206","0.0733","","","0.0941","0.1057","","","","","","1.006","","","","has coordinates","241976","2020-10-21","18:00:00",""
"6000420","9.7598","","9.7598","","11.3152","","90","","90","","120","","933.42","","","","","","","","","","","","","4","R -3 c","","","","","","- O6 Rh Sr3 Y -","","","","","","Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.","Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)","Journal of Solid State Chemistry","1998","139","","416","421","10.1006/jssc.1998.7877","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000421","9.6833","","9.6833","","11.0478","","90","","90","","120","","897.13","","","","","","","","","","","","","4","R -3 c","","","","","","- O6 Rh Sc Sr3 -","","","","","","Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.","Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)","Journal of Solid State Chemistry","1998","139","","416","421","10.1006/jssc.1998.7877","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000422","9.6473","","9.6473","","11.3597","","90","","90","","120","","915.61","","","","","","","","","","","","","0","R -3 c","","","","","","?","","","","","","Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.","Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)","Journal of Solid State Chemistry","1998","139","","416","421","10.1006/jssc.1998.7877","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000438","12.5082","","12.5082","","12.5082","","90","","90","","90","","1956.97","","","","","","","","","","","","","3","F -4 3 m","","","","","","- Au S Ta5 -","","","","","","Harbrecht, B.; Wagner, V.; Pietzonka, C.","AuTa5S: a cubic rod packing of condensed (Au,Ta)(13) icosahedra interwoven with a three-dimensional framework of corner-connected STa6 octahedra","Journal of Solid State Chemistry","1998","139","","45","51","10.1006/jssc.1998.7799","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000439","12.534","","6.237","","8.36","","90","","97.404","","90","","648.09","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- B2 F3 Gd3 O6 -","","","","","","Corbel, G.; Retoux, R.; Leblanc, M.","Ab initio structure determination of new rare earth fluoride borates Ln(3)(BO3)(2)F-3 (Ln = Sm, Eu, and Gd)","Journal of Solid State Chemistry","1998","139","","52","56","10.1006/jssc.1998.7800","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000440","11.704","","5.82","","12.16","","90","","100.9","","90","","813.36","","","","","","","","","","","","","5","P 1 2 1","","","","","","- Bi12 Mo3 O34 Te V2 -","","","","","","Castro, A.; Enjalbert, R.; Baules, P.; Galy, J.","Synthesis and structural evolution of the solid solution Bi(Bi12-xTexO14)Mo4-xV1+xO20 (O <= x <= 2.5)","Journal of Solid State Chemistry","1998","139","","185","193","10.1006/jssc.1998.7831","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000441","11.642","","5.771","","24.22","","90","","101.16","","90","","1596.47","","","","","","","","","","","","","5","P 1 2/c 1","","","","","","- Bi11 Mo2 O28 Te2 V3 -","","","","","","Castro, A.; Enjalbert, R.; Baules, P.; Galy, J.","Synthesis and structural evolution of the solid solution Bi(Bi12-xTexO14)Mo4-xV1+xO20 (O <= x <= 2.5)","Journal of Solid State Chemistry","1998","139","","185","193","10.1006/jssc.1998.7831","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103384","7.76","","8.85","","8.23","","100.18","","90.72","","103.83","","539.289","","","","","","","","","","","","","4","P 1","P 1","1","","Silver antimony bismuth sulfide (.8/.6/.3/2)","","- Ag0.83 Bi0.33 S2 Sb0.625 -","- Ag0.833333 Bi0.333333 S2 Sb0.625 -","- Ag5 Bi2 S12 Sb3.75 -","6","6","","Nowacki, W.; Mullen, D.J.E.","The crystal structure of Aramayoite Ag (Sb, Bi) S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","139","","54","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103504","4.24","","4.24","","47.86","","90","","90","","120","","745.135","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd7 I14 -","7","1.16667","","Chadha, G.K.","Crystal structures of three Cd I2 polytypes","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","139","","147","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103505","4.24","","4.24","","54.68","","90","","90","","120","","851.316","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd8 I16 -","8","1.33333","","Chadha, G.K.","Crystal structures of three Cd I2 polytypes","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","139","","147","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9008238","8.918","","31.899","","8.462","","90","","117.79","","90","","2129.59","","","","","","","","","","","","Binnatal, Switzerland","3","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As6 Pb13.88 S23 -","- As6 Pb13.88 S23 -","- As12 Pb27.76 S46 -","2","0.5","","Ito, T.; Nowacki, W.","The crystal structure of jordanite, Pb28As12S46","Zeitschrift fur Kristallographie","1974","139","","161","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008239","13.4857","","11.8656","","19.9834","","90","","107.168","","90","","3055.19","","","","","","","","","","","","Wolfsberg, Harz, Germany","3","C 1 2/c 1","-C 2yc","15","","","Plagionite","- Pb5 S17 Sb8 -","- Pb5 S17 Sb8 -","- Pb20 S68 Sb32 -","4","0.5","","Cho, S. A.; Wuensch, B. J.","The crystal structure of plagionite, Pb5Sb8S17, the second member in the homologous series Pb3+2nSb8S15+2n","Zeitschrift fur Kristallographie","1974","139","","351","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9011427","7.518","","12.809","","5.94","","90","","92.25","","90","","571.569","","","","","","","","","","","","Vascongadas, Spain","4","P 1 21/a 1","-P 2yab","14","","","Freieslebenite","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Ito, T.; Nowacki, W.","The crystal structure of freieslebenite, PbAgSbS3","Zeitschrift fur Kristallographie","1974","139","","85","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012224","5.413","","5.413","","10.824","","90","","90","","90","","317.149","","","","","","","","","","","","Synthetic","3","I -4 2 m","I -4 2","121","","","Kuramite","- Cu0.999 S1.5 Sn0.501 -","- Cu0.9994 S1.5 Sn0.5006 -","- Cu1.9988 S3 Sn1.0012 -","2","0.125","","Chen, X.; Wada, H.; Sato, A.; Mieno, M.","Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and structure refinement of Cu2SnS3","Journal of Solid State Chemistry","1998","139","","144","151","10.1006/jssc.1998.7822","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012225","7.372","","7.372","","36.01","","90","","90","","120","","1694.82","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu4 S16 Sn7 -","- Cu4 S16 Sn7 -","- Cu12 S48 Sn21 -","3","0.0833333","","Chen, X.; Wada, H.; Sato, A.; Mieno, M.","Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and structure refinement of Cu2SnS3","Journal of Solid State Chemistry","1998","139","","144","151","10.1006/jssc.1998.7822","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9015914","14.2418","","14.2418","","30.1143","","90","","90","","120","","5289.73","","","","","","","","","","","","Pocos de Caldas massif, Minas Gerais, Brazil","16","R 3 m :H","R 3 -2""","160","","","Manganoeudialyte","- C2.64 H40.56 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn5.72 Na47.84 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24 -","- C2.64 H38.49 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn4.68 Na45.54 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24 -","- C2.64 H38.49 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn4.68 Na45.54 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24 -","1","0.0555556","","Nomura, S. F.; Atencio, D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Coutinho, J. M. V.; Karipidis, T. K.","Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2010","139","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9016700","12.7345","","12.7345","","5.1798","","90","","90","","120","","727.457","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","6","P 63","P 6c","173","","","Depmeierite","- Al3 H3.18 Na3.922 O14.69 P0.3 Si3 -","- Al3 H3.18 Na3.922 O14.69 P0.3 Si3 -","- Al6 H6.36 Na7.844 O29.38 P0.6 Si6 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Van, K. V.; Pushcharovsky, D. Y.","Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2010","139","","63","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""