# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-29T04:16:35+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS catalysis') AND volume = 8 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
"4514298","13.1807","0.0013","21.777","0.002","15.5892","0.0017","90","","97.999","0.008","90","","4431.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67 -","- C52 H58 Cl N2 Ni P -","- C208 H232 Cl4 N8 Ni4 P4 -","4","1","","Nazari, S. Hadi; Bourdeau, Jefferson E.; Talley, Michael R.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Michaelis, David J.","Nickel-Catalyzed Suzuki Cross Couplings with Unprotected Allylic Alcohols Enabled by Bidentate N-Heterocyclic Carbene (NHC)/Phosphine Ligands","ACS Catalysis","2017","8","1","86","","10.1021/acscatal.7b03079","","","1.54178","CuKα","","0.1346","0.1167","","","0.2832","0.2925","","","","","","1.869","","","","has coordinates","206114","2020-10-21","18:00:00",""
"4514299","18.468","0.003","5.7696","0.0008","29.486","0.004","90","","91.375","0.002","90","","3140.9","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C144 H144 O16 S16 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.0491","0.0374","","","0.0903","0.0999","","","","","","1.002","","","","has coordinates,has disorder","206115","2020-10-21","18:00:00",""
"4514300","19.9655","0.0017","9.2515","0.0008","27.268","0.002","90","","104.314","0.002","90","","4880.3","0.7","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N O3 S -","- C29 H29 N O3 S -","- C232 H232 N8 O24 S8 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.1005","0.0557","","","0.1409","0.1631","","","","","","1.013","","","","has coordinates","206115","2020-10-21","18:00:00",""
"4514301","17.6216","0.0007","14.3906","0.0005","22.3619","0.0009","90","","91.6518","0.0014","90","","5668.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C121 H176 O12 P2 Sc2 -","- C121 H176 O12 P2 Sc2 -","- C242 H352 O24 P4 Sc4 -","2","0.5","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0775","0.0505","","","0.1318","0.1567","","","","","","1.042","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514302","13.4046","0.0006","15.1609","0.0007","28.5176","0.0013","90","","103.471","0.002","90","","5636.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 O5 P Sc -","- C60 H86 O5 P Sc -","- C240 H344 O20 P4 Sc4 -","4","1","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0757","0.0485","","","0.1285","0.1546","","","","","","1.054","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514315","9.528","0.003","10.803","0.003","12.452","0.003","94.682","0.005","100.658","0.005","98.889","0.005","1236.4","0.6","93","2","93","2","","","","","","","","5","P 1","P 1","1","(R)-N-(1-(1-benzyl-1H-indol-3-yl)-1-phenylethyl) -4-methylbenzenesulfonamide","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C60 H56 N4 O4 S2 -","2","2","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.0418","0.0378","","","0.092","0.0933","","","","","","1.022","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514316","15.348","0.007","11.244","0.004","17.721","0.007","90","","102.716","0.009","90","","2983","2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-Ar2-BINSA calcium(II) salt","","","- C60 H48 Ca O10 S2 -","- C60 H48 Ca O10 S2 -","- C120 H96 Ca2 O20 S4 -","2","1","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.1374","0.0797","","","0.1955","0.216","","","","","","0.872","","","","has coordinates","206118","2020-10-21","18:00:00",""
"4514318","15.5416","0.0005","22.2438","0.0009","23.488","0.0012","90","","90","","90","","8119.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H76 Cl4 O10 Rh2 -","- C92 H76 Cl4 O10 Rh2 -","- C368 H304 Cl16 O40 Rh8 -","4","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","x-ray","0.71073","MoKα","","0.1316","0.1076","","","0.2028","0.2137","","","","","","1.142","","","","has coordinates,has disorder","206116","2020-10-21","18:00:00",""
"4514319","11.764","0.003","17.436","0.004","26.079","0.007","90","","91.389","0.006","90","","5348","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H114 O11 Rh2 -","- C124 H114 O11 Rh2 -","- C248 H228 O22 Rh4 -","2","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","","0.71073","MoKα","","0.1395","0.0987","","","0.1964","0.2181","","","","","","1.104","","","","has coordinates","206116","2020-10-21","18:00:00",""
"4514320","12.5906","0.0002","22.4298","0.0004","11.671","0.0002","90","","101.86","0.0007","90","","3225.58","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43.6 Ca I2 N6 O6.8 -","- C18 H43.6 Ca I2 N6 O6.8 -","- C72 H174.4 Ca4 I8 N24 O27.2 -","4","1","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0285","0.0239","","","0.0554","0.0576","","","","","","1.048","","","","has coordinates","206119","2020-10-21","18:00:00",""
"4514321","10.6093","0.0002","7.3183","0.0001","18.0196","0.0003","90","","96.6981","0.0005","90","","1389.53","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ca I2 N3 O7 -","- C18 H39 Ca I2 N3 O7 -","- C36 H78 Ca2 I4 N6 O14 -","2","0.5","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0223","0.0196","","","0.0466","0.048","","","","","","1.085","","","","has coordinates,has disorder","206119","2020-10-21","18:00:00",""
"4514324","5.7745","0.0004","15.6042","0.0012","16.0104","0.0012","90","","94.458","0.001","90","","1438.28","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 F O2 -","- C18 H17 F O2 -","- C72 H68 F4 O8 -","4","2","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0577","0.043","","","0.1075","0.1154","","","","","","1.054","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514325","20.627","0.002","10.6003","0.0011","14.9178","0.0015","90","","90","","90","","3261.8","0.6","190","2","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H32 Cl2 F4 Ir2 -","- C40 H32 Cl2 F4 Ir2 -","- C160 H128 Cl8 F16 Ir8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0411","0.0309","","","0.0652","0.069","","","","","","1.06","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514326","18.1462","0.0018","7.5224","0.0007","22.412","0.002","90","","92.604","0.005","90","","3056.1","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0886","0.0461","","","0.0804","0.0917","","","","","","1.024","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514327","6.1963","0.0006","13.8442","0.0013","8.5199","0.0009","90","","101.713","0.005","90","","715.64","0.12","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 F N O2 S -","- C14 H18 F N O2 S -","- C28 H36 F2 N2 O4 S2 -","2","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0312","0.0279","","","0.0673","0.0691","","","","","","1.028","","","","has coordinates,has disorder","206131","2020-10-21","18:00:00",""
"4514328","5.9526","0.0005","9.1966","0.0007","33.092","0.003","90","","90","","90","","1811.6","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 F O2 -","- C22 H27 F O2 -","- C88 H108 F4 O8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.049","0.0405","","","0.1024","0.1072","","","","","","1.08","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514336","8.4938","0.001","10.8107","0.001","16.6719","0.0019","104.927","0.003","95.326","0.004","99.344","0.004","1445","0.3","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br N4 O2 -","- C34 H33 Br N4 O2 -","- C68 H66 Br2 N8 O4 -","2","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0417","0.038","","","0.0968","0.0989","","","","","","1.028","","","","has coordinates,has disorder","206122","2020-10-21","18:00:00",""
"4514337","10.1934","0.0006","10.7135","0.0006","17.2661","0.0011","89.316","0.002","85.141","0.002","82.592","0.002","1863.12","0.19","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O -","- C21 H27 N3 O -","- C84 H108 N12 O4 -","4","2","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0394","","","0.1086","0.1119","","","","","","1.043","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514338","6.2748","0.0005","13.137","0.0011","24.081","0.002","90","","90","","90","","1985","0.3","101","","101.23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","1.54178","CuKα","","0.026","0.0259","","","0.0658","0.0659","","","","","","1.077","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514339","10.0808","0.0007","9.7488","0.0006","15.9224","0.0012","90","","108.079","0.003","90","","1487.53","0.18","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0395","","","0.1026","0.1064","","","","","","1.053","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514340","10.0431","0.001","9.7828","0.0011","15.4733","0.0011","90","","99.887","0.004","90","","1497.7","0.2","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0452","0.0406","","","0.1135","0.1176","","","","","","1.038","","","","has coordinates,has disorder","206122","2020-10-21","18:00:00",""
"4514341","9.722","0.002","6.1683","0.0014","19.747","0.004","90","","102.561","0.004","90","","1155.8","0.4","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F N2 O7 Se -","- C25 H21 F N2 O7 Se -","- C50 H42 F2 N4 O14 Se2 -","2","1","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.0347","0.0319","","","0.0691","0.0702","","","","","","1","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514342","12.1582","0.0004","19.1469","0.0006","23.6521","0.0008","80.268","0.001","80.837","0.002","84.148","0.002","5341.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H39 O4.5 S0.5 Se -","- C27 H39 O4.5 S0.5 Se -","- C216 H312 O36 S4 Se8 -","8","8","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","1.54178","CuKα","","0.0438","0.039","","","0.0944","0.0974","","","","","","1.03","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514343","6.7417","0.0005","22.7327","0.0016","16.9277","0.0011","90","","101.477","0.002","90","","2542.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O4 Se -","- C18 H18 F2 O4 Se -","- C108 H108 F12 O24 Se6 -","6","3","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.026","0.0228","","","0.0457","0.0478","","","","","","1.055","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514344","9.9745","0.0006","14.6282","0.0009","21.2096","0.0013","103.406","0.002","99.818","0.002","90.008","0.002","2963.7","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H50 B N2 P Ru -","- C31 H50 B N2 P Ru -","- C124 H200 B4 N8 P4 Ru4 -","4","2","","Beguerie, Marion; Dinoi, Chiara; del Rosal, Iker; Faradji, Charly; Alcaraz, Gilles; Vendier, Laure; Sabo-Etienne, Sylviane","Mechanistic Studies on the Catalytic Synthesis of BN Heterocycles (1H-2,1-Benzazaboroles) at Ruthenium","ACS Catalysis","2018","8","2","939","","10.1021/acscatal.7b03461","","","0.71073","MoKα","","0.0579","0.0362","","","0.0749","0.0855","","","","","","1.083","","","","has coordinates","206126","2020-10-21","18:00:00",""
"4514345","12.513","0.002","17.266","0.003","12.709","0.002","90","","107.182","0.003","90","","2623.2","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jonnk09","","","- C59 H96 Mn N O4 P2 -","- C59 H96 Mn N O4 P2 -","- C118 H192 Mn2 N2 O8 P4 -","2","0.5","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0878","0.0526","","","0.1155","0.131","","","","","","1.037","","","","has coordinates,has disorder","206120","2020-10-21","18:00:00",""
"4514346","16.074","0.003","19.166","0.004","16.17","0.003","90","","113.805","0.004","90","","4557.8","1.5","100","0.5","100","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","jonnk11","","","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C190 H288 Br4 Cl12 Mn4 N4 O8 P8 -","4","2","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0735","0.0465","","","0.0832","0.0931","","","","","","1.014","","","","has coordinates","206120","2020-10-21","18:00:00",""
"4514350","11.9405","0.0005","12.2853","0.0004","20.3054","0.0006","103.183","0.003","102.56","0.003","98.477","0.003","2769.26","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 F12 Fe2 N10 O15 S4 -","- C46 H38 F12 Fe2 N10 O15 S4 -","- C92 H76 F24 Fe4 N20 O30 S8 -","2","1","","Kottrup, Konstantin G.; D'Agostini, Silvia; van Langevelde, Phebe H.; Siegler, Maxime A.; Hetterscheid, Dennis G. H.","Catalytic Activity of an Iron-Based Water Oxidation Catalyst: Substrate Effects of Graphitic Electrodes.","ACS catalysis","2018","8","2","1052","1061","10.1021/acscatal.7b03284","","","1.54178","CuKα","","0.0709","0.0541","","","0.1342","0.1404","","","","","","0.921","","","","has coordinates,has disorder","227501","2020-10-21","18:00:00",""
"4514351","20.0688","0.0003","9.57471","0.00012","21.8114","0.0003","90","","113.315","0.0018","90","","3848.9","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","4","","Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo","Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis","ACS Catalysis","2018","8","2","1062","","10.1021/acscatal.7b03788","","","0.7107","MoKα","","0.0722","0.0503","","","0.1298","0.1462","","","","","","0.99","","","","has coordinates,has disorder","206124","2020-10-21","18:00:00",""
"4514352","11.0218","0.0004","16.5594","0.0006","17.2264","0.0007","76.1184","0.0015","89.3326","0.0015","82.0211","0.0015","3021.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Fe N3 O S4 -","- C31 H27 Fe N3 O S4 -","- C124 H108 Fe4 N12 O4 S16 -","4","2","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0605","0.0414","","","0.1083","0.1215","","","","","","1.016","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514353","10.4477","0.0004","12.8949","0.0005","13.2739","0.0006","64.316","0.001","67.177","0.001","79.099","0.002","1484.95","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Fe N2 O S4 -","- C32 H32 Fe N2 O S4 -","- C64 H64 Fe2 N4 O2 S8 -","2","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.067","0.0442","","","0.1076","0.1191","","","","","","1.05","","","","has coordinates,has disorder","206133","2020-10-21","18:00:00",""
"4514354","28.2857","0.0008","7.9962","0.0002","15.1492","0.0004","90","","90","","90","","3426.42","0.16","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H36 Fe N3 O3 P S4 -","- C33 H36 Fe N3 O3 P S4 -","- C132 H144 Fe4 N12 O12 P4 S16 -","4","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0545","0.0484","","","0.0842","0.0857","","","","","","1.288","","","","has coordinates","206133","2020-10-21","18:00:00",""
"4514356","10.0101","0.0004","19.2905","0.001","14.2617","0.0007","90","","110.537","0.003","90","","2578.9","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 Cl4 Cr Li N2 O2 P -","- C18 H37 Cl4 Cr Li N2 O2 P -","- C72 H148 Cl16 Cr4 Li4 N8 O8 P4 -","4","1","","Kwon, Doo-Hyun; Fuller, Jack T.; Kilgore, Uriah J.; Sydora, Orson L.; Bischof, Steven M.; Ess, Daniel H.","Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization","ACS Catalysis","2018","8","2","1138","","10.1021/acscatal.7b04026","","x-ray","1.54178","CuKα","K-L~3~","0.0941","0.059","","","0.1433","0.1604","","","","","","1.024","","","","has coordinates","206123","2020-10-21","18:00:00",""
"4514357","9.92477","0.00006","18.1707","0.00013","27.0531","0.00016","90","","90","","90","","4878.76","0.05","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Br N2 O -","- C30 H27 Br N2 O -","- C240 H216 Br8 N16 O8 -","8","1","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","1.54187","CuKα","","0.0281","0.0272","","","0.0785","0.0793","","","","","","1.054","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514358","14.476","0.003","17.657","0.004","18.147","0.004","81.051","0.014","77.873","0.012","82.012","0.013","4452.5","1.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27.67 Br N2 O1.33 -","- C30 H27 Br N2 O1.33333 -","- C180 H162 Br6 N12 O8 -","6","3","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","0.71075","MoKα","","0.2852","0.1239","","","0.2958","0.4058","","","","","","0.974","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514359","11.4354","0.0014","18.923","0.002","18.566","0.002","90","","97.981","0.002","90","","3978.6","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H68 Br4 Cl4 N4 Ni2 -","- C94 H68 Br4 Cl4 N4 Ni2 -","- C188 H136 Br8 Cl8 N8 Ni4 -","2","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0946","0.0473","","","0.1116","0.1371","","","","","","1.016","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514360","24.752","0.006","10.97","0.003","22.093","0.005","90","","90","","90","","5999","3","173.15","","173.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C52 H44 Br2 Cl8 N2 Ni -","- C52 H44 Br2 Cl8 N2 Ni -","- C208 H176 Br8 Cl32 N8 Ni4 -","4","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0543","0.0346","","","0.0809","0.089","","","","","","1.018","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514361","13.579","0.002","14.443","0.002","18.148","0.003","90","","109.503","0.003","90","","3355","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br2 N2 Ni -","- C38 H36 Br2 N2 Ni -","- C152 H144 Br8 N8 Ni4 -","4","1","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.1393","0.0966","","","0.2194","0.2339","","","","","","1.157","","","","has coordinates,has disorder","206132","2020-10-21","18:00:00",""
"4514363","16.336","0.0013","12.2113","0.001","27.367","0.002","90","","91.146","0.001","90","","5458.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Fe N2 O3 P2 -","- C23 H47 Fe N2 O3 P2 -","- C184 H376 Fe8 N16 O24 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.0634","0.0492","","","0.1251","0.1337","","","","","","1.066","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514364","19.086","0.004","16.908","0.004","15.109","0.003","90","","113.043","0.004","90","","4486.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H39 Fe N O2 P2 -","- C19 H39 Fe N O2 P2 -","- C152 H312 Fe8 N8 O16 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.1104","0.0552","","","0.0898","0.1066","","","","","","1.033","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514365","8.6289","0.0006","29.4056","0.0019","13.2362","0.0011","90","","108.974","0.002","90","","3176","0.4","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C84 H160 F24 Fe4 Li4 N4 O32 P8 S8 -","4","1","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.066","0.0458","","","0.086","0.0934","","","","","","1.062","","","","has coordinates","206128","2020-10-21","18:00:00",""
"4514366","35.2177","0.0018","35.2177","0.0018","35.2177","0.0018","90","","90","","90","","43680","4","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C78 H94 Ag4 F9 N24 O22 S6 -","- C78 H82.995 Ag4 F9 N24 O21.99 S6 -","- C624 H663.96 Ag32 F72 N192 O175.92 S48 -","8","0.666667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2813","0.0994","","","0.1962","0.2277","","","","","","1.041","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514367","35.191","0.0008","35.191","0.0008","35.191","0.0008","90","","90","","90","","43580.8","1.7","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C150 H164 Ag8 F9 N53 O25 S12 -","- C149.88 H159.78 Ag8 F9 N52.98 O24.99 S12 -","- C599.52 H639.12 Ag32 F36 N211.92 O99.96 S48 -","4","0.333333","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2886","0.0984","","","0.2199","0.2477","","","","","","1.001","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514368","35.835","0.011","35.835","0.011","35.835","0.011","90","","90","","90","","46017","2","230","2","230","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C120 H162 Ag8 F0 N60 O18 S13 -","- C120 H129.96 Ag8 N60 O18.02 S13 -","- C480 H519.84 Ag32 N240 O72.08 S52 -","4","0.166667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2806","0.0985","","","0.2249","0.2409","","","","","","1.072","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514369","6.78","0.0006","10.4553","0.0009","18.9129","0.0016","90","","90","","90","","1340.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-3-((z)-4-Chlorobenzylidene)-7a-methyl-2,3,3a,7a-tetrahydrobenzofuran-5(4H)-one","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu","Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones","ACS Catalysis","2018","8","2","1440","","10.1021/acscatal.7b04054","","","0.71073","MoKα","","0.0562","0.0549","","","0.1319","0.1326","","","","","","1.254","","","","has coordinates","206130","2020-10-21","18:00:00",""
"4514377","9.418","0.0009","10.2752","0.001","18.5554","0.0018","94.536","0.002","92.905","0.002","96.975","0.001","1773.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Ni O P2 -","- C45 H38 Ni O P2 -","- C90 H76 Ni2 O2 P4 -","2","1","","Zhang, Xin; Tutkowski, Brandon; Oliver, Allen; Helquist, Paul; Wiest, Olaf","Mechanistic Study of the Nickel-Catalyzed α,β-Coupling of Saturated Ketones","ACS Catalysis","2018","8","3","1740","","10.1021/acscatal.7b04105","","","0.71073","MoKα","","0.0474","0.0358","","","0.0868","0.0924","","","","","","1.015","","","","has coordinates","227507","2020-10-21","18:00:00",""
"4514380","13.6373","0.0005","15.8546","0.0006","8.1178","0.0002","90","","104.499","0.002","90","","1699.28","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Kuppusamy, Ramajayam; Santhoshkumar, Rajagopal; Boobalan, Ramadoss; Wu, Hsin-Ru; Cheng, Chien-Hong","Synthesis of 1,2-Dihydroquinolines by Co(III)-Catalyzed [3 + 3] Annulation of Anilides with Benzylallenes","ACS Catalysis","2018","8","3","1880","","10.1021/acscatal.7b04087","","","0.71073","MoKα","","0.0514","0.0409","","","0.0984","0.112","","","","","","1.081","","","","has coordinates","227503","2020-10-21","18:00:00",""
"4514381","9.027","0.004","10.076","0.003","20.28","0.008","90","","90","","90","","1844.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AGC-247","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0653","0.0365","","","0.0833","0.098","","","","","","1.051","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514382","8.8134","0.0003","9.1977","0.0003","10.6394","0.0004","90","","94.6009","0.0017","90","","859.68","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","AGC236","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0491","0.0372","","","0.0928","0.108","","","","","","1.107","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514383","13.9676","0.0003","23.8405","0.0005","5.5166","0.0001","90","","90","","90","","1837","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","FE01059","","","- C18 H17 Br N2 O5 -","- C18 H17 Br N2 O5 -","- C72 H68 Br4 N8 O20 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0591","0.0341","","","0.0862","0.0955","","","","","","1.02","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514384","9.8164","0.0003","14.358","0.0004","17.0526","0.0004","90","","90.736","0.003","90","","2403.26","0.11","293.06","0.1","293.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N2 O3 Rh S -","- C24 H29 N2 O3 Rh S -","- C96 H116 N8 O12 Rh4 S4 -","4","1","","Ran, You; Yang, Yudong; You, Huansha; You, Jingsong","RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes","ACS Catalysis","2018","8","3","1796","","10.1021/acscatal.7b04298","","x-ray","1.54184","CuKα","","0.0643","0.0588","","","0.1633","0.1738","","","","","","1.052","","","","has coordinates","227506","2020-10-21","18:00:00",""
"4514387","11.693","0.004","6.314","0.002","15.57","0.005","90","","103.875","0.006","90","","1116","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O -","- C26 H24 Br N O -","- C52 H48 Br2 N2 O2 -","2","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0821","0.0417","","","0.0956","0.1107","","","","","","0.924","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514388","11.7229","0.0007","13.9765","0.0009","13.8227","0.0008","90","","91.721","0.001","90","","2263.8","0.2","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F6 N3 P Pd -","- C23 H22 F6 N3 P Pd -","- C92 H88 F24 N12 P4 Pd4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0364","0.0277","","","0.0643","0.068","","","","","","1.025","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514394","14.1793","0.0011","34.531","0.003","16.0684","0.0012","90","","113.726","0.001","90","","7202.5","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonhy07","M(e2PheBox)Ir(O2CEt)2","","- C24 H33 Ir N2 O6 -","- C24 H33 Ir N2 O6 -","- C288 H396 Ir12 N24 O72 -","12","3","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0831","0.0428","","","0.0828","0.0956","","","","","","1.016","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514395","17.9996","0.0009","11.5553","0.0006","15.0325","0.0008","90","","100.311","0.001","90","","3076.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy12","","","- C28 H43 Ir N2 O7 -","- C28 H43 Ir N2 O7 -","- C112 H172 Ir4 N8 O28 -","4","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0731","0.041","","","0.0739","0.0849","","","","","","1.022","","","","has coordinates,has disorder","227504","2020-10-21","18:00:00",""
"4514396","10.4412","0.0012","11.3139","0.0013","13.9001","0.0017","75.379","0.002","83.373","0.002","84.494","0.002","1574.4","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonhy10","","","- C34 H39 Ir N2 O7 -","- C34 H39 Ir N2 O7 -","- C68 H78 Ir2 N4 O14 -","2","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0881","0.0465","","","0.0677","0.0767","","","","","","1.023","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514397","12.1132","0.0012","39.536","0.004","11.7754","0.0011","90","","94.196","0.0015","90","","5624.2","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy09","(Me2PheBox)Ir(O2CH=CMe2)(H2O)","","- C28 H39 Ir N2 O7 -","- C28 H39 Ir N2 O7 -","- C224 H312 Ir8 N16 O56 -","8","2","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.1021","0.0531","","","0.0945","0.1102","","","","","","1.026","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514398","20.2301","0.0017","28.431","0.002","43.025","0.003","90","","90","","90","","24746","3","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C87 H190 N3 O38 P Si3 Ti W9 -","- C87 H190 N3 O38 P Si3 Ti W9 -","- C696 H1520 N24 O304 P8 Si24 Ti8 W72 -","8","1","","Zhang, Teng; Mazaud, Louis; Chamoreau, Lise-Marie; Paris, Céline; Proust, Anna; Guillemot, Geoffroy","Unveiling the Active Surface Sites in Heterogeneous Titanium-Based Silicalite Epoxidation Catalysts: Input of Silanol-Functionalized Polyoxotungstates as Soluble Analogues","ACS Catalysis","2018","8","3","2330","","10.1021/acscatal.8b00256","","","0.71073","MoKα","","0.0489","0.0292","","","0.046","0.0506","","","","","","1.064","","","","has coordinates,has disorder","227508","2020-10-21","18:00:00",""
"4514400","17.4516","0.0009","7.5513","0.0004","15.134","0.0008","90","","107.604","0.006","90","","1900.99","0.18","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.2215","0.0834","","","0.1897","0.2728","","","","","","1.0947","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514401","10.0272","0.0006","23.326","0.0013","22.7595","0.0012","90","","95.922","0.002","90","","5294.9","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H51 Cl3 F6 N3 P3 Ru -","- C61 H51 Cl3 F6 N3 P3 Ru -","- C244 H204 Cl12 F24 N12 P12 Ru4 -","4","1","","Paul, Bhaskar; Shee, Sujan; Panja, Dibyajyoti; Chakrabarti, Kaushik; Kundu, Sabuj","Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies","ACS Catalysis","2018","8","4","2890","","10.1021/acscatal.8b00021","","","0.71073","MoKα","","0.1801","0.0816","","","0.1682","0.211","","","","","","1.0774","","","","has coordinates","227499","2020-10-21","18:00:00",""
"4515514","11.446","0.0007","11.5967","0.0008","12.3843","0.0009","112.094","0.004","115.7","0.003","93.978","0.004","1318.18","0.17","175","2","175","2","","","","","","","","6","P -1","-P 1","2","shr484fs_LT","","","- C25 H38 B N O6 S -","- C25 H38 B N O6 S -","- C50 H76 B2 N2 O12 S2 -","2","1","","Kim-Lee, Shin-Ho; Alonso, Inés; Mauleón, Pablo; Arrayás, Ramón Gómez; Carretero, Juan C.","Rationalizing the Role of NaOtBu in Copper-Catalyzed Carboboration of Alkynes: Assembly of Allylic All-Carbon Quaternary Stereocenters","ACS Catalysis","2018","8","10","8993","","10.1021/acscatal.8b02123","","","0.71073","MoKα","","0.0644","0.0458","","","0.1085","0.1202","","","","","","1.025","","","","has coordinates","225670","2020-10-21","18:00:00",""
"4515515","27.4465","0.0018","6.4873","0.0004","22.0138","0.0015","90","","112.954","0.002","90","","3609.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C168 H176 F8 N8 O32 -","8","2","","Park, Hojoon; Chekshin, Nikita; Shen, Peng-Xiang; Yu, Jin-Quan","Ligand-Enabled, Palladium-Catalyzed β-C(sp<sup>3</sup>)-H Arylation of Weinreb Amides.","ACS catalysis","2018","8","10","9292","9297","10.1021/acscatal.8b03014","","x-ray","1.54178","CuKα","","0.0414","0.0378","","","0.0987","0.1021","","","","","","1.032","","","","has coordinates","225671","2020-10-21","18:00:00",""
"4515516","11.0919","0.0007","18.3376","0.0011","21.9261","0.0013","90","","90","","90","","4459.7","0.5","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Co K N6 O11 -","- C41 H51 Co K N6 O11 -","- C164 H204 Co4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0516","0.0443","","","0.097","0.1007","","","","","","1.085","","","","has coordinates","225672","2020-10-21","18:00:00",""
"4515517","11.7651","0.0007","21.2221","0.0012","16.4682","0.0009","90","","95.468","0.001","90","","4093.1","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 K Mn N7 O3 -","- C45 H36 K Mn N7 O3 -","- C180 H144 K4 Mn4 N28 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0558","0.0436","","","0.1096","0.1162","","","","","","1.064","","","","has coordinates","225673","2020-10-21","18:00:00",""
"4515518","9.1381","0.0009","12.0237","0.0012","17.8361","0.0019","96.278","0.002","90.36","0.002","111.214","0.002","1813.7","0.3","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H48 N4 -","- C45 H48 N4 -","- C90 H96 N8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1174","0.0722","","","0.1863","0.2273","","","","","","1.068","","","","has coordinates","225674","2020-10-21","18:00:00",""
"4515519","11.527","0.002","13.729","0.003","27.724","0.005","90","","92.471","0.004","90","","4383.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 K Mn N4 O2 -","- C50 H55 K Mn N4 O2 -","- C200 H220 K4 Mn4 N16 O8 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0786","0.0549","","","0.1321","0.145","","","","","","0.985","","","","has coordinates","225675","2020-10-21","18:00:00",""
"4515520","12.3883","0.0015","18.995","0.002","21.656","0.003","90","","101.457","0.002","90","","4994.5","1.1","137","2","137","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C212 H190 F36 K4 Mn4 N18 O26 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1737","0.0917","","","0.1762","0.2119","","","","","","1.028","","","","has coordinates,has disorder","225676","2020-10-21","18:00:00",""
"4515521","19.36","0.003","10.0615","0.0016","29.486","0.004","90","","128.675","0.007","90","","4484","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 F9 N4 O6 -","- C48 H39 F9 N4 O6 -","- C192 H156 F36 N16 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1598","0.0628","","","0.1537","0.196","","","","","","0.949","","","","has coordinates","225677","2020-10-21","18:00:00",""
"4515522","13.4244","0.0015","15.4608","0.0017","21.041","0.002","92.203","0.002","93.474","0.001","102.805","0.001","4244.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H131 K Mn N4 O7 -","- C88 H131 K Mn N4 O7 -","- C176 H262 K2 Mn2 N8 O14 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1006","0.0823","","","0.2295","0.248","","","","","","1.014","","","","has coordinates,has disorder","225678","2020-10-21","18:00:00",""
"4515523","12.729","0.004","14.584","0.004","16.701","0.005","112.045","0.005","92.891","0.006","99.02","0.005","2817.9","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H45 F18 K Mn N4 O3 -","- C54 H45 F18 K Mn N4 O3 -","- C108 H90 F36 K2 Mn2 N8 O6 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1055","0.0749","","","0.2016","0.2235","","","","","","1.047","","","","has coordinates","225679","2020-10-21","18:00:00",""
"4515524","12.421","0.003","13.222","0.003","24.754","0.005","89.65","0.004","77.831","0.004","72.506","0.003","3783.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H198 Cl0 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","1","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0998","0.0714","","","0.1764","0.1953","","","","","","1.027","","","","has coordinates,has disorder","225680","2020-10-21","18:00:00",""
"4515525","11.719","0.01","12.417","0.01","21.77","0.019","91.221","0.012","100.827","0.011","100.424","0.012","3055","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.75 H86 K Mn N4 O4 -","- C61 H77 K Mn N4 O4 -","- C122 H154 K2 Mn2 N8 O8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1269","0.0769","","","0.1804","0.2122","","","","","","0.912","","","","has coordinates","225681","2020-10-21","18:00:00",""
"4515526","12.4818","0.0015","21.792","0.003","20.039","0.002","90","","105.708","0.002","90","","5247.1","1.1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H71 K Mn N4 O4 -","- C58 H71 K Mn N4 O4 -","- C232 H284 K4 Mn4 N16 O16 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0444","0.0398","","","0.1028","0.1066","","","","","","1.053","","","","has coordinates","225682","2020-10-21","18:00:00",""
"4515527","18.3717","0.0012","10.8662","0.0007","19.0286","0.0012","90","","94.307","0.001","90","","3788","0.4","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H29 F9 K Mn N6 O5 -","- C32 H29 F9 K Mn N6 O5 -","- C128 H116 F36 K4 Mn4 N24 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.053","0.0516","","","0.1418","0.1438","","","","","","1.045","","","","has coordinates","225684","2020-10-21","18:00:00",""
"4515528","11.1683","0.0017","18.406","0.003","21.83","0.003","90","","90","","90","","4487.5","1.2","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Fe K N6 O11 -","- C41 H51 Fe K N6 O11 -","- C164 H204 Fe4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0355","0.0344","","","0.0904","0.0913","","","","","","1.037","","","","has coordinates","225685","2020-10-21","18:00:00",""
"4515529","11.391","0.0007","20.1796","0.0014","24.488","0.0018","90","","93.742","0.003","90","","5617","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cl6 K Mn N4 O5 -","- C56 H61 Cl6 K Mn N4 O5 -","- C224 H244 Cl24 K4 Mn4 N16 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0638","0.0403","","","0.0861","0.0981","","","","","","1.022","","","","has coordinates,has disorder","225686","2020-10-21","18:00:00",""
"4515530","10.696","0.003","18.855","0.006","15.813","0.005","90","","101.378","0.005","90","","3126.4","1.7","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Co F9 K N6 O3 -","- C28 H18 Co F9 K N6 O3 -","- C112 H72 Co4 F36 K4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1054","0.0606","","","0.1398","0.17","","","","","","0.858","","","","has coordinates","225687","2020-10-21","18:00:00",""
"4515531","18.8633","0.0015","21.7465","0.0017","22.5199","0.0018","90","","102.759","0.001","90","","9009.8","1.2","136","2","136","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H118 K2 Mn2 N8 O17 -","- C86 H118 K2 Mn2 N8 O17 -","- C344 H472 K8 Mn8 N32 O68 -","4","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0764","0.0546","","","0.1354","0.1495","","","","","","1.031","","","","has coordinates","225688","2020-10-21","18:00:00",""
"4515532","9.133","0.008","29.15","0.03","16.125","0.014","90","","95.392","0.012","90","","4274","7","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F9 K N7 Ni O6 -","- C36 H39 F9 K N7 Ni O6 -","- C144 H156 F36 K4 N28 Ni4 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0805","0.0564","","","0.1475","0.1648","","","","","","1.024","","","","has coordinates,has disorder","225689","2020-10-21","18:00:00",""
"4515533","10.661","0.007","18.766","0.012","15.752","0.01","90","","100.699","0.01","90","","3097","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F9 K Mn N6 O3 -","- C28 H18 F9 K Mn N6 O3 -","- C112 H72 F36 K4 Mn4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0822","0.0668","","","0.1768","0.192","","","","","","1.098","","","","has coordinates,has disorder","225690","2020-10-21","18:00:00",""
"4515534","11.759","0.002","13.541","0.003","26.426","0.005","86.003","0.003","80.023","0.003","73.719","0.002","3977","1.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 K2 Mn2 N11 O9 -","- C78 H105 K2 Mn2 N11 O9 -","- C156 H210 K4 Mn4 N22 O18 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1206","0.1096","","","0.3163","0.3253","","","","","","1.096","","","","has coordinates","225691","2020-10-21","18:00:00",""
"4515535","5.8829","0.0002","8.228","0.0002","25.846","0.0007","90","","96.056","0.001","90","","1244.08","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Liu, Chengwei; Li, Guangchen; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Acyl and Decarbonylative Suzuki Coupling of N-Acetyl Amides: Electronic Tuning of Twisted, Acyclic Amides in Catalytic Carbon‒Nitrogen Bond Cleavage","ACS Catalysis","2018","8","10","9131","","10.1021/acscatal.8b02815","","","1.54178","CuKα","","0.0478","0.0462","","","0.1134","0.1146","","","","","","1.043","","","","has coordinates","225692","2020-10-21","18:00:00",""
"4515536","12.148","0.0008","10.6001","0.0006","19.4764","0.0012","90","","96.366","0.002","90","","2492.5","0.3","149.94","","149.94","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N2 O4 P -","- C30 H27 N2 O4 P -","- C120 H108 N8 O16 P4 -","4","1","","Meyer, Tjark H.; Oliveira, João C. A.; Sau, Samaresh Chandra; Ang, Nate W. J.; Ackermann, Lutz","Electrooxidative Allene Annulations by Mild Cobalt-Catalyzed C‒H Activation","ACS Catalysis","2018","8","10","9140","","10.1021/acscatal.8b03066","","","0.71073","MoKα","","0.0396","0.036","","","0.102","0.1049","","","","","","1.061","","","","has coordinates","225693","2020-10-21","18:00:00",""
"4515537","6.1285","0.0001","10.8042","0.0002","30.5592","0.0006","90","","90","","90","","2023.43","0.06","120","2","119.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N O2 -","- C25 H20 Cl N O2 -","- C100 H80 Cl4 N4 O8 -","4","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","1.54178","CuKα","","0.0267","0.0262","","","0.0661","0.0666","","","","","","1.045","","","","has coordinates","225694","2020-10-21","18:00:00",""
"4515538","13.288","","5.6","","14.983","","90","","114.29","","90","","1016.23","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","0.71073","MoKα","","0.0557","0.0493","","","0.1211","0.1278","","","","","","1.039","","","","has coordinates","225695","2020-10-21","18:00:00",""
"4515539","39.254","0.007","39.254","0.007","16.542","0.003","90","","90","","120","","22074","7","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo0.96 O32 S1.92 Zr6 -","- C88 H44 Mo0.96 O32 S2.24 Zr6 -","- C264 H132 Mo2.88 O96 S6.72 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1324","0.0817","","","0.2474","0.2833","","","","","","1.081","","","","has coordinates,has disorder","225696","2020-10-21","18:00:00",""
"4515540","39.4657","0.0012","39.4657","0.0012","16.3953","0.0005","90","","90","","120","","22115.1","1.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo2.24 O36.88 Zr6 -","- C88 H44 Mo2.24 O36.88 Zr6 -","- C264 H132 Mo6.72 O110.64 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1008","0.0763","","","0.2223","0.2365","","","","","","1.072","","","","has coordinates,has disorder","225697","2020-10-21","18:00:00",""
"4515541","9.0462","0.0004","11.8256","0.0005","23.9232","0.0009","90","","90","","90","","2559.23","0.18","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines","ACS Catalysis","2018","8","10","9859","","10.1021/acscatal.8b02651","","","0.71073","MoKα","","0.1373","0.0671","","","0.1144","0.1435","","","","","","1.014","","","","has coordinates","225698","2020-10-21","18:00:00",""
"4515542","13.7717","0.0002","11.1518","0.0001","18.9206","0.0002","90","","90","","90","","2905.81","0.06","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Ge N O3 -","- C14 H21 Ge N O3 -","- C112 H168 Ge8 N8 O24 -","8","1","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.0306","0.0288","","","0.0803","0.082","","","","","","1.054","","","","has coordinates","225699","2020-10-21","18:00:00",""
"4515543","14.8342","0.0003","13.3798","0.0003","16.4653","0.0004","90","","96.777","0.002","90","","3245.18","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl Ge N O3 -","- C14 H20 Cl Ge N O3 -","- C112 H160 Cl8 Ge8 N8 O24 -","8","2","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.05","0.0421","","","0.1081","0.1132","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4515544","8.3369","0.0016","9.3962","0.0018","14.592","0.003","100.111","0.002","103.43","0.003","98.334","0.002","1073.8","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H60 N2 -","- C54 H60 N2 -","- C54 H60 N2 -","1","0.5","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0668","0.0486","","","0.1367","0.1429","","","","","","1.38","","","","has coordinates","225701","2020-10-21","18:00:00",""
"4515545","8.8458","0.0013","14.526","0.002","9.5388","0.0014","90","","90","","90","","1225.7","0.3","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H14 F3 N O -","- C12 H14 F3 N O -","- C48 H56 F12 N4 O4 -","4","1","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0282","0.0279","","","0.1136","0.1147","","","","","","1.051","","","","has coordinates","225702","2020-10-21","18:00:00",""
"4515546","10.1611","0.0008","10.3192","0.0009","12.2146","0.001","73.14","0.0016","71.609","0.0015","61.296","0.002","1051.13","0.15","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.0873","0.0667","","","0.1643","0.1805","","","","","","1.023","","","","has coordinates,has disorder","225703","2020-10-21","18:00:00",""
"4515547","10.082","0.0006","10.316","0.0007","12.247","0.0008","73.57","0.004","71.546","0.004","61.603","0.004","1049.43","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.156","0.1083","","","0.2803","0.3236","","","","","","1.048","","","","has coordinates,has disorder","225704","2020-10-21","18:00:00",""
"4515548","8.085","0.0004","16.9819","0.0009","10.0705","0.0005","90","","110.13","0.001","90","","1298.2","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0412","0.0338","","","0.0846","0.09","","","","","","1.034","","","","has coordinates","225705","2020-10-21","18:00:00",""
"4515549","7.0746","0.0006","19.195","0.002","15.3264","0.0014","90","","100.918","0.003","90","","2043.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.048","0.0357","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","225706","2020-10-21","18:00:00",""
"4515550","33.95","0.005","8.4972","0.0012","7.9321","0.001","90","","90","","90","","2288.3","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0667","0.0427","","","0.0864","0.0975","","","","","","1.067","","","","has coordinates","225707","2020-10-21","18:00:00",""
"4515551","12.008","0.002","7.0368","0.0013","30.631","0.006","90","","92.288","0.006","90","","2586.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C104 H96 N8 O20 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.1404","0.0695","","","0.1479","0.1742","","","","","","1.024","","","","has coordinates","225708","2020-10-21","18:00:00",""
"4515552","33.457","0.006","7.1395","0.0012","20.377","0.004","90","","103.524","0.005","90","","4732.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N2 O3 S -","- C28 H28 N2 O3 S -","- C224 H224 N16 O24 S8 -","8","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0804","0.0509","","","0.1232","0.1394","","","","","","1.079","","","","has coordinates","225709","2020-10-21","18:00:00",""
"4515553","9.5004","0.0003","11.278","0.0004","11.5979","0.0003","104.256","0.002","109.363","0.002","106.026","0.003","1045.71","0.07","296.6","0.5","296.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O2 -","- C24 H22 Cl N3 O2 -","- C48 H44 Cl2 N6 O4 -","2","1","","Liu, Bingxian; Li, Jie; Hu, Panjie; Zhou, Xukai; Bai, Dachang; Li, Xingwei","Divergent Annulative C‒C Coupling of Indoles Initiated by Manganese-Catalyzed C‒H Activation","ACS Catalysis","2018","8","10","9463","","10.1021/acscatal.8b02560","","x-ray","1.54184","CuKα","","0.0733","0.0704","","","0.1852","0.1897","","","","","","1.046","","","","has coordinates","225710","2020-10-21","18:00:00",""
"4515554","9.356","0.0003","10.7541","0.0003","9.6715","0.0003","90","","96.3296","0.0015","90","","967.17","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi","Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides","ACS Catalysis","2018","8","8","7340","","10.1021/acscatal.8b01687","","","0.71073","MoKα","","0.0402","0.0352","","","0.0874","0.0914","","","","","","1.023","","","","has coordinates","225711","2020-10-21","18:00:00",""
"4515555","19.738","0.004","5.4134","0.0011","11.384","0.002","90","","90","","90","","1216.4","0.4","113.15","","113.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H17 B Cl N O -","- C11 H17 B Cl N O -","- C44 H68 B4 Cl4 N4 O4 -","4","1","","Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones","ACS Catalysis","2018","8","8","7351","","10.1021/acscatal.8b02052","","","0.71073","MoKα","","0.0333","0.0313","","","0.0726","0.0739","","","","","","1.042","","","","has coordinates","225712","2020-10-21","18:00:00",""
"4515556","12.7987","0.0002","15.0974","0.0002","25.8586","0.0004","104.39","","95.12","","100","","4720.16","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H42 O6 Ru2 -","- C62 H42 O6 Ru2 -","- C248 H168 O24 Ru8 -","4","2","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.6888","synchrotron","","0.0265","0.024","","","0.0777","0.0794","","","","","","1.04","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515557","15.7952","0.0002","7.4857","0.0001","20.8655","0.0003","90","","100.47","","90","","2426.02","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O3 Ru -","- C31 H22 O3 Ru -","- C124 H88 O12 Ru4 -","4","1","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.65255","synchrotron","","0.0294","0.0286","","","0.0817","0.0831","","","","","","0.952","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515558","12.6922","0.0005","13.0313","0.0005","16.647","0.0006","76.0639","0.0007","84.1498","0.0007","84.0536","0.0007","2649.46","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H75 Cl3 Fe3 N6 -","- C57 H75 Cl3 Fe3 N6 -","- C114 H150 Cl6 Fe6 N12 -","2","1","","Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.","Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes.","ACS catalysis","2018","8","8","7208","7212","10.1021/acscatal.8b02021","","","0.71073","MoKα","","0.1038","0.057","","","0.1025","0.113","","","","","","1.002","","","","has coordinates","225714","2020-10-21","18:00:00",""
"4515559","13.4325","0.0003","11.7346","0.0003","13.7646","0.0003","90","","92.32","0.001","90","","2167.87","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Mn N5 O4 -","- C21 H18 Mn N5 O4 -","- C84 H72 Mn4 N20 O16 -","4","1","","Liu, Tingting; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Manganese-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols under Phosphine-Free Conditions","ACS Catalysis","2018","8","8","7201","","10.1021/acscatal.8b01960","","","0.71073","MoKα","","0.0404","0.0337","","","0.0861","0.0911","","","","","","1.075","","","","has coordinates","225715","2020-10-21","18:00:00",""
"4515560","17.2156","0.0005","7.3295","0.0002","13.8834","0.0004","90","","90.807","0.002","90","","1751.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DF1104 - 18MCD006","","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0659","0.0435","","","0.1042","0.1173","","","","","","1.024","","","","has coordinates","225716","2020-10-21","18:00:00",""
"4515561","12.2561","0.0009","9.8925","0.0007","15.8384","0.0011","90","","110.254","0.003","90","","1801.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0733","0.047","","","0.1123","0.1271","","","","","","1.049","","","","has coordinates","225717","2020-10-21","18:00:00",""
"4515562","12.411","0.002","12.765","0.003","21.416","0.004","90","","95.043","0.003","90","","3379.7","1.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Cu N3 -","- C37 H46 Cu N3 -","- C148 H184 Cu4 N12 -","4","1","","Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi","Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups","ACS Catalysis","2018","8","8","6791","","10.1021/acscatal.8b01572","","","0.71075","MoKα","","0.0504","0.0446","","","0.0996","0.1029","","","","","","1.084","","","","has coordinates","225718","2020-10-21","18:00:00",""
"4515563","17.7588","0.0004","13.939","0.0003","20.7682","0.0004","90","","90","","90","","5140.96","0.19","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cu N4 O7 S2 -","- C26 H24 Cu N4 O7 S2 -","- C208 H192 Cu8 N32 O56 S16 -","8","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0352","0.0331","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515564","7.9814","0.0003","11.0894","0.0004","11.102","0.0004","96.461","0.001","100.176","0.001","110.007","0.001","892.77","0.06","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 Cu F3 N2 O7 S2 -","- C14 H13 Cu F3 N2 O7 S2 -","- C28 H26 Cu2 F6 N4 O14 S4 -","2","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0366","0.0365","","","0.094","0.0941","","","","","","1.175","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515565","11.7373","0.0019","4.431","0.0007","21.078","0.003","90","","90","","90","","1096.2","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0724","0.0613","","","0.1482","0.1541","","","","","","1.145","","","","has coordinates","225720","2020-10-21","18:00:00",""
"4515566","6.6399","0.0003","17.0733","0.001","19.2759","0.0012","90","","90","","90","","2185.2","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0959","0.0563","","","0.1348","0.1597","","","","","","1.039","","","","has coordinates","225721","2020-10-21","18:00:00",""
"4515567","14.435","0.0008","5.4011","0.0003","16.2501","0.0009","90","","104.851","0.0019","90","","1224.62","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0714","0.0488","","","0.124","0.1423","","","","","","1.049","","","","has coordinates","225722","2020-10-21","18:00:00",""
"4515568","9.1834","0.0003","5.2643","0.0002","13.7823","0.0004","90","","107.711","0.0011","90","","634.72","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0669","0.0593","","","0.1456","0.1541","","","","","","1.045","","","","has coordinates","225723","2020-10-21","18:00:00",""
"4515569","10.5305","0.0019","11.181","0.002","20.761","0.004","101.915","0.006","91.944","0.006","94.462","0.006","2381.4","0.8","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H70 Ce N7 O8 -","- C42 H70 Ce N7 O8 -","- C84 H140 Ce2 N14 O16 -","2","1","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0267","0.0243","","","0.0583","0.0589","","","","","","1.073","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515570","11.5006","0.0006","17.4646","0.0008","20.0865","0.0009","67.599","0.003","80.635","0.004","78.648","0.004","3639.9","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Ce N6 O8 -","- C32 H51 Ce N6 O8 -","- C128 H204 Ce4 N24 O32 -","4","2","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0233","0.0188","","","0.045","0.0464","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515571","22.935","0.003","19.6202","0.0017","13.5095","0.0014","90","","114.142","0.002","90","","5547.4","1","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H66 Ce2 N11 O17 -","- C49 H66 Ce2 N11 O17 -","- C196 H264 Ce8 N44 O68 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0319","0.026","","","0.0656","0.0676","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515572","15.263","0.003","27.226","0.004","17.096","0.003","90","","96.089","0.004","90","","7064","2","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H174 Ce4 N21 O32 -","- C124 H174 Ce4 N21 O32 -","- C248 H348 Ce8 N42 O64 -","2","0.25","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0999","0.0759","","","0.1652","0.1712","","","","","","1.233","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515573","27.711","0.003","19.4594","0.0018","15.5984","0.0017","90","","122.044","0.0016","90","","7129.7","1.3","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H102 Ce2 N8 O11 -","- C68 H102 Ce2 N8 O11 -","- C272 H408 Ce8 N32 O44 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0567","0.0356","","","0.0812","0.0875","","","","","","1.03","","","","has coordinates,has disorder","225724","2020-10-21","18:00:00",""
"4515574","13.746","0.004","11.435","0.003","18.615","0.006","90","","110.457","0.006","90","","2741.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KU_02_22_17","","","- C34 H30 N2 O4 -","- C34 H30 N2 O4 -","- C136 H120 N8 O16 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0445","0.0406","","","0.1054","0.1093","","","","","","1.036","","","","has coordinates","225725","2020-10-21","18:00:00",""
"4515575","12.551","0.0007","9.9456","0.0005","17.6307","0.0009","90","","106.171","0.003","90","","2113.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KU2_011","","","- C25 H25 N3 O Pd -","- C25 H25 N3 O Pd -","- C100 H100 N12 O4 Pd4 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0428","0.0353","","","0.0682","0.075","","","","","","1.203","","","","has coordinates","225726","2020-10-21","18:00:00",""
"4515576","5.612","0.0009","7.5305","0.0014","37.033","0.006","90","","90","","90","","1565.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C76 H68 Cl4 O4 -","4","1","","Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin","Asymmetric C(sp)‒H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst","ACS Catalysis","2018","8","5","4705","","10.1021/acscatal.8b01189","","","0.71073","MoKα","","0.0532","0.0491","","","0.1252","0.1301","","","","","","1.049","","","","has coordinates","225727","2020-10-21","18:00:00",""
"4515577","13.2573","0.0009","13.3386","0.0008","15.3535","0.001","90","","92.948","0.004","90","","2711.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H49 N O3 P2 Ru -","- C21 H49 N O3 P2 Ru -","- C84 H196 N4 O12 P8 Ru4 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.047","0.0376","","","0.0883","0.0927","","","","","","1.057","","","","has coordinates,has disorder","225728","2020-10-21","18:00:00",""
"4515578","15.1793","0.0005","16.5074","0.0008","16.664","0.0006","88.609","0.002","71.881","0.002","62.825","0.001","3496","0.2","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H125 N3 O10 P6 Ru3 -","- C51 H125 N3 O10 P6 Ru3 -","- C102 H250 N6 O20 P12 Ru6 -","2","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0221","0.0198","","","0.0468","0.0481","","","","","","1.036","","","","has coordinates,has disorder","225729","2020-10-21","18:00:00",""
"4515579","14.17","0.0005","15.3918","0.0006","21.741","0.0008","90","","90","","90","","4741.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H41 N O3 P2 Ru -","- C19 H41 N O3 P2 Ru -","- C152 H328 N8 O24 P16 Ru8 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0291","0.0208","","","0.0473","0.0506","","","","","","1.047","","","","has coordinates","225730","2020-10-21","18:00:00",""
"4515580","12.4393","0.0009","11.9755","0.0008","15.9077","0.0011","90","","91.637","0.002","90","","2368.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 Cl2 Mn N P2 -","- C19 H35 Cl2 Mn N P2 -","- C76 H140 Cl8 Mn4 N4 P8 -","4","1","","Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama","Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex","ACS Catalysis","2018","8","5","4103","","10.1021/acscatal.8b00983","","","0.71073","MoKα","","0.024","0.0217","","","0.0583","0.06","","","","","","1.01","","","","has coordinates","225731","2020-10-21","18:00:00",""
"4515581","4.8553","0.0004","32.281","0.002","5.6773","0.0004","90","","91.788","0.001","90","","889.39","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Co O5 P -","- C7 H9 Co O5 P -","- C28 H36 Co4 O20 P4 -","4","1","","Cai, Zhong-Sheng; Shi, Yi; Bao, Song-Song; Shen, Yang; Xia, Xing-Hua; Zheng, Li-Min","Bioinspired Engineering of Cobalt-Phosphonate Nanosheets for Robust Hydrogen Evolution Reaction","ACS Catalysis","2018","8","5","3895","","10.1021/acscatal.7b04276","","","0.71073","MoKα","","0.0559","0.0339","","","0.0658","0.0721","","","","","","1.007","","","","has coordinates,has disorder","225732","2020-10-21","18:00:00",""
"4515582","10.1881","0.0007","13.7426","0.0011","20.6392","0.0016","90","","90","","90","","2889.7","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N3 O2 P2 Re -","- C25 H40 N3 O2 P2 Re -","- C100 H160 N12 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl","Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium.","ACS catalysis","2018","8","5","4009","4016","10.1021/acscatal.8b00153","","x-ray","0.71073","MoKα","","0.0764","0.0484","","","0.0991","0.1115","","","","1.18","1.18","1.11","","","","has coordinates","225733","2020-10-21","18:00:00",""
"4515583","12.047","0.005","17.64","0.007","32.956","0.013","90","","96.116","0.007","90","","6964","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H87 B N3 O2 Y -","- C72 H87 B N3 O2 Y -","- C288 H348 B4 N12 O8 Y4 -","4","1","","Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin","Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species","ACS Catalysis","2018","8","5","4465","","10.1021/acscatal.8b00600","","","0.71073","MoKα","","0.1117","0.0676","","","0.1704","0.1913","","","","","","1.017","","","","has coordinates,has disorder","225734","2020-10-21","18:00:00",""
"4515584","7.0996","0.0004","33.5115","0.0018","16.7335","0.0009","90","","90","","90","","3981.2","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.54 N O2.25 -","- C12 H6 In0.545 N O2.26 -","- C96 H48 In4.36 N8 O18.08 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0941","0.0817","","","0.2059","0.2155","","","","","","1.131","","","","has coordinates,has disorder","225735","2020-10-21","18:00:00",""
"4515585","7.125","","33.622","","16.583","","90","","90","","90","","3972.57","","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.75 N O2.73 -","- C12 H6 In0.75 N O2.732 -","- C96 H48 In6 N8 O21.856 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0445","0.0425","","","0.119","0.1202","","","","","","1.088","","","","has coordinates,has disorder","225736","2020-10-21","18:00:00",""
"4515586","7.0725","0.0001","33.2883","0.0006","16.666","0.0003","90","","90","","90","","3923.7","0.11","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C48 H24 In2 N4 Ni O10 -","- C48 H24 In2 N4 Ni O10 -","- C96 H48 In4 N8 Ni2 O20 -","2","0.125","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0453","0.0424","","","0.1285","0.1306","","","","","","1.085","","","","has coordinates","225737","2020-10-21","18:00:00",""
"4515587","18.28107","0.00017","18.28107","0.00017","36.923","0.0005","90","","90","","90","","12339.6","0.2","173","","173","","","","","","","","","7","P 43","P 4cw","78","","","","- C26 H28 F6 Mn N4 O6 S2 -","- C26 H28 F6 Mn N4 O6 S2 -","- C416 H448 F96 Mn16 N64 O96 S32 -","16","4","","Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant","ACS Catalysis","2018","8","5","4528","","10.1021/acscatal.8b00874","","x-ray","1.54184","CuKα","","0.0642","0.0485","","","0.1154","0.1274","","","","","","1.024","","","","has coordinates,has disorder","225738","2020-10-21","18:00:00",""
"4515588","13.414","0.0008","13.786","0.0008","18.1493","0.001","101.69","0.003","106.173","0.002","109.985","0.002","2859.7","0.3","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 B F12 P -","- C28 H24 B F12 P -","- C112 H96 B4 F48 P4 -","4","2","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0679","0.0474","","","0.1106","0.121","","","","","","1.041","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515589","10.6496","0.0004","15.3406","0.0007","18.042","0.0008","90","","95.278","0.002","90","","2935","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B F12 P -","- C28 H26 B F12 P -","- C112 H104 B4 F48 P4 -","4","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.1012","0.0679","","","0.1511","0.17","","","","","","1.031","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515590","11.7104","0.0003","12.4425","0.0003","12.4488","0.0003","71.092","0.001","69.578","0.001","64.329","0.001","1499.65","0.07","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H27 B2 F12 P -","- C28 H27 B2 F12 P -","- C56 H54 B4 F24 P2 -","2","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0927","0.0628","","","0.1901","0.2248","","","","","","1.052","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515591","11.1904","0.0004","12.5885","0.0003","22.6178","0.0006","90","","99.722","0.001","90","","3140.42","0.16","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Co2 N6 -","- C72 H94 Co2 N6 -","- C144 H188 Co4 N12 -","2","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0624","0.0422","","","0.1067","0.1207","","","","","","1.061","","","","has coordinates","225740","2020-10-21","18:00:00",""
"4515592","17.0369","0.0005","10.7343","0.0003","17.0418","0.0006","90","","93.483","0.001","90","","3110.83","0.17","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 Co N2 O Si -","- C31 H48 Co N2 O Si -","- C124 H192 Co4 N8 O4 Si4 -","4","1","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0583","0.04","","","0.0954","0.1053","","","","","","1.017","","","","has coordinates,has disorder","225741","2020-10-21","18:00:00",""
"4515593","12.0633","0.0003","12.0633","0.0003","21.8421","0.0007","90","","90","","90","","3178.53","0.15","100","1","100","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C31 H45 Cl2 Co Li N2 O2 -","- C31 H45 Cl2 Co Li N2 O2 -","- C124 H180 Cl8 Co4 Li4 N8 O8 -","4","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","x-ray","0.71073","MoKα","","0.0346","0.0293","","","0.0702","0.0726","","","","","","1.084","","","","has coordinates","225742","2020-10-21","18:00:00",""
"4515594","8.8505","0.0009","21.914","0.002","19.0059","0.0018","90","","100.646","0.002","90","","3622.7","0.6","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N3 O Si Zn -","- C39 H49 N3 O Si Zn -","- C156 H196 N12 O4 Si4 Zn4 -","4","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0636","0.0424","","","0.0969","0.1048","","","","","","1.012","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515595","14.8856","0.0003","21.731","0.0004","16.0804","0.0002","90","","113.482","0.001","90","","4770.9","0.15","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H38.5 N3 Zn -","- C22.5 H38.5 N3 Zn -","- C180 H308 N24 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0459","0.0376","","","0.0957","0.102","","","","","","1.0408","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515596","23.041","0.006","10.016","0.003","22.532","0.006","90","","117.531","0.004","90","","4611","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N3 O2 Zn -","- C22 H35 N3 O2 Zn -","- C176 H280 N24 O16 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.1221","0.0536","","","0.1284","0.1725","","","","","","0.891","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515597","21.7365","0.0014","14.2049","0.001","20.3579","0.0013","90","","102.81","0.001","90","","6129.4","0.7","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 N6 Zn2 -","- C50 H86 N6 Zn2 -","- C200 H344 N24 Zn8 -","4","0.5","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0581","0.0434","","","0.1203","0.1277","","","","","","1.046","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515598","12.7688","0.0002","13.881","0.0003","17.4955","0.0003","76.808","0.001","73.779","0.001","84.324","0.001","2896.9","0.09","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H93 N6 O4 Zn2 -","- C55 H93 N6 O4 Zn2 -","- C110 H186 N12 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0479","0.0434","","","0.1143","0.1181","","","","","","1.0462","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515599","16.1366","0.0003","16.5978","0.0003","23.3164","0.0004","98.9","0.001","90.984","0.001","119.052","0.001","5362.53","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H86 N6 O2 Zn2 -","- C51 H86 N6 O2 Zn2 -","- C204 H344 N24 O8 Zn8 -","4","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","GaKα","","0.0559","0.0496","","","0.132","0.138","","","","","","1.012","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515600","13.4707","0.0011","14.5272","0.0013","16.2991","0.0014","88.145","0.002","89.86","0.001","65.496","0.001","2900.6","0.4","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N4 O4 Zn2 -","- C60 H84 N4 O4 Zn2 -","- C120 H168 N8 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.064","0.0385","","","0.0919","0.1024","","","","","","1.032","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515601","10.82","0.007","12.675","0.007","11.662","0.007","90","","106.559","0.018","90","","1533","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Fe N11 O -","- C10 H12 Fe N11 O -","- C40 H48 Fe4 N44 O4 -","4","1","","Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao","Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands.","ACS catalysis","2018","8","5","4473","4482","10.1021/acscatal.8b00821","","","0.71073","MoKα","","0.1335","0.0919","","","0.2621","0.3029","","","","","","0.794","","","","has coordinates","225745","2020-10-21","18:00:00",""
"4515602","10.1006","0.0007","18.0014","0.0013","42.163","0.003","90","","90","","90","","7666.3","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 N4 Ni -","- C44 H54 N4 Ni -","- C352 H432 N32 Ni8 -","8","2","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0689","0.0487","","","0.0911","0.0976","","","","","","1.042","","","","has coordinates","225746","2020-10-21","18:00:00",""
"4515603","26.6781","0.0011","16.5463","0.0007","22.7174","0.0009","90","","90.462","0.002","90","","10027.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H136 Cl3 N9 Ni3 -","- C110 H136 Cl3 N9 Ni3 -","- C440 H544 Cl12 N36 Ni12 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1026","0.1185","","","","","","1.056","","","","has coordinates,has disorder","225747","2020-10-21","18:00:00",""
"4515604","12.855","0.003","21.217","0.004","24.26","0.005","90","","90","","90","","6617","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Cl2 N6 Ni2 -","- C64 H80 Cl2 N6 Ni2 -","- C256 H320 Cl8 N24 Ni8 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.71073","MoKα","","0.0802","0.0475","","","0.0796","0.0867","","","","","","0.952","","","","has coordinates","225748","2020-10-21","18:00:00",""
"4515605","27.4949","0.0015","19.0191","0.0015","16.9558","0.0011","90","","108.589","0.003","90","","8404.1","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl N3 Ni -","- C43 H56 Cl N3 Ni -","- C344 H448 Cl8 N24 Ni8 -","8","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.56086","AgKα","","0.0898","0.073","","","0.2","0.2088","","","","","","1.472","","","","has coordinates,has disorder","225749","2020-10-21","18:00:00",""
"4515606","10.5276","0.0013","10.7464","0.0014","18.567","0.002","90","","90","","90","","2100.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VAL1","","","- C22 H37 Ir N P -","- C22 H37 Ir N P -","- C88 H148 Ir4 N4 P4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0145","0.0143","","","0.0354","0.0354","","","","","","1.128","","","","has coordinates","225750","2020-10-21","18:00:00",""
"4515607","14.836","0.005","15.464","0.005","15.385","0.005","90","","114.159","0.006","90","","3220.5","1.8","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir2 N2 O P2 -","- C29 H48 Ir2 N2 O P2 -","- C116 H192 Ir8 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0431","0.033","","","0.0759","0.08","","","","","","1.107","","","","has coordinates,has disorder","225751","2020-10-21","18:00:00",""
"4515608","13.8587","0.0008","23.8714","0.0012","12.5805","0.0009","90","","115.201","0.008","90","","3765.8","0.5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F6 N6 O9 P Ru2 -","- C34 H26 F6 N6 O9 P Ru2 -","- C136 H104 F24 N24 O36 P4 Ru8 -","4","1","","Daniel, Quentin; Duan, Lele; Timmer, Brian J. J.; Chen, Hong; Luo, Xiaodan; Ambre, Ram; Wang, Ying; Zhang, Biaobiao; Zhang, Peili; Wang, Lei; Li, Fusheng; Sun, Junliang; Ahlquist, Mårten; Sun, Licheng","Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst","ACS Catalysis","2018","8","5","4375","","10.1021/acscatal.7b03768","","x-ray","0.71073","MoKα","","0.0992","0.0607","","","0.1515","0.1669","","","","","","1.066","","","","has coordinates","225752","2020-10-21","18:00:00",""
"4515609","8.6881","0.0005","9.8467","0.0005","11.0731","0.001","94.586","0.006","91.58","0.006","105.361","0.005","909.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br N O -","- C21 H22 Br N O -","- C42 H44 Br2 N2 O2 -","2","1","","Bai, Dachang; Xu, Teng; Ma, Chaorui; Zheng, Xin; Liu, Bingxian; Xie, Fang; Li, Xingwei","Rh(III)-Catalyzed Mild Coupling of Nitrones and Azomethine Imines with Alkylidenecyclopropanes via C‒H Activation: Facile Access to Bridged Cycles","ACS Catalysis","2018","8","5","4194","","10.1021/acscatal.8b00746","","","0.71073","MoKα","","0.0612","0.04","","","0.0851","0.0938","","","","","","1.033","","","","has coordinates","225753","2020-10-21","18:00:00",""
"4515610","14.4042","0.0014","3.8522","0.0004","14.6641","0.0014","90","","90","","90","","813.68","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0432","0.0378","","","0.0891","0.0916","","","","","","1.066","","","","has coordinates","225754","2020-10-21","18:00:00",""
"4515611","10.936","0.0005","6.5014","0.0003","14.9916","0.0008","90","","95.8987","0.0016","90","","1060.25","0.09","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl O4 -","- C25 H25 Cl O4 -","- C50 H50 Cl2 O8 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0559","0.048","","","0.1185","0.1243","","","","","","1.079","","","","has coordinates","225755","2020-10-21","18:00:00",""
"4515612","7.2559","0.0013","4.5474","0.0008","13.321","0.002","90","","100.781","0.005","90","","431.77","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H3 Br Cl I O -","- C6 H3 Br Cl I O -","- C12 H6 Br2 Cl2 I2 O2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0721","0.0702","","","0.2329","0.2358","","","","","","1.16","","","","has coordinates","225756","2020-10-21","18:00:00",""
"4515613","6.3191","0.0003","15.8114","0.0008","21.7404","0.0011","90","","90","","90","","2172.17","0.19","302","2","302","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C96 H64 Cl16 O16 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0446","0.0389","","","0.1118","0.118","","","","","","1.108","","","","has coordinates","225757","2020-10-21","18:00:00",""
"4515614","6.7838","0.0003","16.4432","0.0008","7.2539","0.0003","90","","108.069","0.0011","90","","769.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0403","0.0376","","","0.1228","0.1263","","","","","","1.129","","","","has coordinates","225758","2020-10-21","18:00:00",""
"4515615","13.6694","0.0002","14.6546","0.0002","21.7416","0.0004","90","","104.277","0.0009","90","","4220.76","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Cl O3 -","- C25 H21 Cl O3 -","- C200 H168 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0634","0.0408","","","0.1016","0.1157","","","","","","1.028","","","","has coordinates,has disorder","225759","2020-10-21","18:00:00",""
"4515616","4.1058","0.0004","17.9301","0.0019","12.4296","0.0015","90","","93.138","0.004","90","","913.66","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br Cl O3 -","- C8 H6 Br Cl O3 -","- C32 H24 Br4 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0752","0.06","","","0.1801","0.1859","","","","","","1.279","","","","has coordinates","225760","2020-10-21","18:00:00",""
"4515617","5.6425","0.0005","9.1159","0.0008","11.1839","0.001","106.666","0.002","102.943","0.002","93.95","0.002","531.61","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 O Se -","- C12 H8 F2 O Se -","- C24 H16 F4 O2 Se2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0861","0.0418","","","0.0931","0.1136","","","","","","1.104","","","","has coordinates","225761","2020-10-21","18:00:00",""
"4515618","7.7896","0.0003","13.5178","0.0006","15.0171","0.0006","90","","101.499","0.002","90","","1549.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C56 H32 Br8 Cl8 O16 -","8","2","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0496","0.033","","","0.0887","0.0983","","","","","","1.042","","","","has coordinates","225762","2020-10-21","18:00:00",""
"4515619","9.6791","0.0005","7.1917","0.0003","12.2628","0.0005","90","","107.906","0.001","90","","812.26","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0387","0.036","","","0.1","0.1028","","","","","","1.007","","","","has coordinates","225763","2020-10-21","18:00:00",""
"4515620","5.7829","0.0002","20.3532","0.0006","8.3091","0.0003","90","","97.502","0.002","90","","969.61","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl O -","- C12 H9 Cl O -","- C48 H36 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0478","0.04","","","0.1165","0.1248","","","","","","1.052","","","","has coordinates","225764","2020-10-21","18:00:00",""
"4515621","19.7094","0.0009","19.7094","0.0009","6.8557","0.0003","90","","90","","90","","2663.2","0.2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 B Cl O3 -","- C12 H16 B Cl O3 -","- C96 H128 B8 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0613","0.0519","","","0.1317","0.1392","","","","","","1.038","","","","has coordinates,has disorder","225765","2020-10-21","18:00:00",""
"4515622","5.2204","0.0012","11.214","0.003","11.717","0.003","90","","90","","90","","685.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0641","0.0545","","","0.1707","0.1833","","","","","","1.149","","","","has coordinates","225766","2020-10-21","18:00:00",""
"4515623","32.7811","0.0017","3.926","0.0002","21.7084","0.0012","90","","91.5018","0.0016","90","","2792.9","0.3","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cl2 O4 -","- C12 H6 Br2 Cl2 O4 -","- C96 H48 Br16 Cl16 O32 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0649","0.0615","","","0.1967","0.2011","","","","","","1.052","","","","has coordinates","225767","2020-10-21","18:00:00",""
"4515624","12.695","0.0011","13.3351","0.0011","17.1823","0.0015","102.363","0.002","97.011","0.002","92.487","0.002","2812.8","0.4","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H38 B Cl2 F27 Fe N4 O3 S -","- C47 H36 B F27 Fe N4 O3 S -","- C94 H72 B2 F54 Fe2 N8 O6 S2 -","2","1","","Postils, Verònica; Rodríguez, Mònica; Sabenya, Gerard; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Costas, Miquel; Solà, Miquel; Luis, Josep M.","Mechanism of the Selective Fe-Catalyzed Arene Carbon‒Hydrogen Bond Functionalization","ACS Catalysis","2018","8","5","4313","","10.1021/acscatal.7b03935","","","0.71073","MoKα","","0.1055","0.0726","","","0.1656","0.186","","","","","","1.036","","","","has coordinates,has disorder","225768","2020-10-21","18:00:00",""
"4515625","9.0489","0.0015","8.4426","0.0015","15.648","0.003","90","","94.577","0.003","90","","1191.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C52 H72 O8 S2 -","2","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0988","","","","","","1.061","","","","has coordinates","225769","2020-10-21","18:00:00",""
"4515626","8.6633","0.0009","8.4114","0.0009","17.9313","0.0019","90","","99.6888","0.0018","90","","1288","0.2","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0781","0.0477","","","0.1302","0.1539","","","","","","0.929","","","","has coordinates","225770","2020-10-21","18:00:00",""
"4515627","6.3615","0.0003","10.4427","0.0008","15.1313","0.0009","85.229","0.005","87.86","0.004","76.106","0.005","972.24","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Guin, Srimanta; Deb, Arghya; Dolui, Pravas; Chakraborty, Souvik; Singh, Vikas Kumar; Maiti, Debabrata","Promoting Highly Diastereoselective γ-C‒H Chalcogenation of α-Amino Acids and Aliphatic Carboxylic Acids","ACS Catalysis","2018","8","4","2664","","10.1021/acscatal.7b04074","","","0.71073","MoKα","","0.0853","0.0736","","","0.2087","0.235","","","","","","1.089","","","","has coordinates","225771","2020-10-21","18:00:00",""
"4515628","8.793","0.0007","10.1042","0.0008","16.0484","0.0015","90","","90","","90","","1425.8","0.2","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Biosca, Maria; Margalef, Jèssica; Caldentey, Xisco; Besora, Maria; Rodríguez-Escrich, Carles; Saltó, Joan; Cambeiro, Xacobe C.; Maseras, Feliu; Pàmies, Oscar; Diéguez, Montserrat; Pericàs, Miquel A.","Computationally Guided Design of a Readily Assembled Phosphite‒Thioether Ligand for a Broad Range of Pd-Catalyzed Asymmetric Allylic Substitutions","ACS Catalysis","2018","8","4","3587","","10.1021/acscatal.7b04192","","","0.7107","MoKα","","0.0279","0.023","","","0.0604","0.0639","","","","","","1.058","","","","has coordinates","225772","2020-10-21","18:00:00",""
"4515629","9.0823","0.0006","10.0446","0.0006","16.7815","0.0011","72.627","0.001","75.846","0.001","89.976","0.001","1412.38","0.16","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C13 H15 B F3 K -","- C13 H15 B F3 K -","- C52 H60 B4 F12 K4 -","4","4","","Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Catalytic, Enantioselective Synthesis of Allenyl Boronates.","ACS catalysis","2018","8","4","3650","3654","10.1021/acscatal.8b00626","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0715","0.0738","","","","","","1.044","","","","has coordinates","225773","2020-10-21","18:00:00",""
"4515630","6.6275","0.0005","8.0167","0.0007","22.6419","0.0019","90","","90","","90","","1202.98","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Brandenberg, Oliver F.; Prier, Christopher K.; Chen, Kai; Knight, Anders M.; Wu, Zachary; Arnold, Frances H.","Stereoselective Enzymatic Synthesis of Heteroatom-Substituted Cyclopropanes","ACS Catalysis","2018","8","4","2629","","10.1021/acscatal.7b04423","","","1.54178","CuKα","","0.0336","0.0334","","","0.0889","0.0892","","","","","","1.154","","","","has coordinates","225774","2020-10-21","18:00:00",""
"4515631","10.4784","0.0005","22.1575","0.001","15.6461","0.0007","90","","105.074","0.003","90","","3507.6","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Cl2 Co2 N4 P4 -","- C70 H110 Cl2 Co2 N4 P4 -","- C140 H220 Cl4 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0424","","","","0.1092","","","","","","1.073","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515632","10.7673","0.0013","29.054","0.004","12.6363","0.0016","90","","117.372","0.003","90","","3510.5","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 Co2 N4 P4 -","- C70 H110 Co2 N4 P4 -","- C140 H220 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0857","","","","0.2141","","","","","","1.025","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515633","9.2161","0.0002","12.7576","0.0003","10.9094","0.0002","90","","95.835","0.002","90","","1276.03","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O3 S -","- C23 H34 N6 O3 S -","- C46 H68 N12 O6 S2 -","2","1","","Nicholls, Rachel L.; McManus, James A.; Rayner, Christopher M.; Morales-Serna, José A.; White, Andrew J. P.; Nguyen, Bao N.","Guanidine-Catalyzed Reductive Amination of Carbon Dioxide with Silanes: Switching between Pathways and Suppressing Catalyst Deactivation","ACS Catalysis","2018","8","4","3678","","10.1021/acscatal.7b04108","","","0.71073","MoKα","","0.048","0.0375","","","0.0821","0.0868","","","","","","1.029","","","","has coordinates","225776","2020-10-21","18:00:00",""
"4515634","15.5099","0.0015","7.5217","0.0008","28.568","0.003","90","","99.09","0.008","90","","3290.9","0.6","273","","273","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C184 H128 O16 -","8","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.077","0.0544","","","0.1377","0.1651","","","","","","1.081","","","","has coordinates","225777","2020-10-21","18:00:00",""
"4515635","7.5964","0.0003","16.0907","0.0006","12.1098","0.0005","90","","99.736","0.002","90","","1458.88","0.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O -","- C15 H22 Br N O -","- C60 H88 Br4 N4 O4 -","4","2","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0817","0.0374","","","0.0838","0.0963","","","","","","1.011","","","","has coordinates","225778","2020-10-21","18:00:00",""
"4515636","10.573","0.003","16.555","0.004","14.695","0.004","90","","104.784","0.003","90","","2487","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C116 H120 O20 -","4","1","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0641","0.0496","","","0.1528","0.1674","","","","","","1.039","","","","has coordinates","225779","2020-10-21","18:00:00",""
"4515637","5.923","0.004","16.864","0.009","14.255","0.008","90","","92.357","0.005","90","","1422.7","1.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O5 S -","- C13 H16.62 N O5 S -","- C52 H66.48 N4 O20 S4 -","4","1","","Kishi, Kenta; Takizawa, Shinobu; Sasai, Hiroaki","Phosphine-Catalyzed Dual Umpolung Domino Michael Reaction: Facile Synthesis of Hydroindole- and Hydrobenzofuran-2-Carboxylates","ACS Catalysis","2018","8","6","5228","","10.1021/acscatal.8b01011","","","0.71075","MoKα","","0.0542","0.0432","","","0.1108","0.1183","","","","","","1.086","","","","has coordinates,has disorder","225780","2020-10-21","18:00:00",""
"4515638","15.8128","0.0008","13.0267","0.0007","16.0929","0.0008","90","","98.231","0.001","90","","3280.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Mo N3 O -","- C37 H47 Mo N3 O -","- C148 H188 Mo4 N12 O4 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0238","0.0233","","","0.0601","0.0604","","","","","","1.06","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515639","32.0833","0.0007","33.7453","0.0007","17.8428","0.0004","90","","90","","90","","19317.7","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H60 Mo N5 O -","- C47 H60 Mo N5 O -","- C752 H960 Mo16 N80 O16 -","16","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0302","0.0272","","","0.0612","0.0625","","","","","","1.021","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515640","11.264","0.0002","17.5505","0.0002","23.2268","0.0003","90","","115.23","0.001","90","","4153.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Mo N3 Si2 -","- C41 H65 Mo N3 Si2 -","- C164 H260 Mo4 N12 Si8 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0356","0.0304","","","0.0742","0.0767","","","","","","1.079","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515641","13.8095","0.0006","15.6122","0.0006","19.5369","0.0009","90","","90","","90","","4212.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 Cl6 N P Pd -","- C41 H50 Cl6 N P Pd -","- C164 H200 Cl24 N4 P4 Pd4 -","4","1","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","0.71073","MoKα","","0.0442","0.0387","","","0.0796","0.0827","","","","","","1.03","","","","has coordinates","225782","2020-10-21","18:00:00",""
"4515642","11.39996","0.00016","31.0942","0.0005","19.9369","0.0003","90","","96.7204","0.0015","90","","7018.53","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.5 H15 Cl5 O3 -","- C25.5 H15 Cl5 O3 -","- C306 H180 Cl60 O36 -","12","6","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","1.54184","CuKα","","0.0603","0.0559","","","0.1435","0.1488","","","","","","1.046","","","","has coordinates,has disorder","225783","2020-10-21","18:00:00",""
"4515643","8.4142","0.0014","14.046","0.002","11.3304","0.0019","90","","104.324","0.003","90","","1297.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl N O5 -","- C29 H34 Cl N O5 -","- C58 H68 Cl2 N2 O10 -","2","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0516","0.0457","","","0.114","0.1191","","","","","","1.042","","","","has coordinates","225784","2020-10-21","18:00:00",""
"4515644","12.432","0.0014","11.174","0.0013","14.1728","0.0016","90","","96.117","0.002","90","","1957.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0702","0.0594","","","0.1471","0.1576","","","","","","1.054","","","","has coordinates","225785","2020-10-21","18:00:00",""
"4515645","8.3767","0.0009","12.1262","0.0013","39.035","0.004","90","","93.093","0.003","90","","3959.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C168 H216 N8 O40 -","8","2","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.1135","0.064","","","0.1416","0.1648","","","","","","0.995","","","","has coordinates,has disorder","225786","2020-10-21","18:00:00",""
"4515646","9.6879","0.001","9.8487","0.0011","34.927","0.004","90","","90","","90","","3332.5","0.6","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 Br N O Si2 -","- C39 H38 Br N O Si2 -","- C156 H152 Br4 N4 O4 Si8 -","4","1","","Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng","Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes","ACS Catalysis","2018","8","6","5306","","10.1021/acscatal.8b00999","","","0.71073","MoKα","","0.0508","0.0421","","","0.0921","0.095","","","","","","1.01","","","","has coordinates","225787","2020-10-21","18:00:00",""
"4515647","16.125","0.001","6.8205","0.0004","13.1663","0.0008","90","","96.287","0.002","90","","1439.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'(Z)-1-tosyl-2,3,4,7,8,9-hexahydro-1H-azonine'","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.0911","0.0599","","","0.1253","0.143","","","","","","1.178","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515648","19.6621","0.0012","8.3363","0.0005","19.9464","0.0013","90","","112.146","0.002","90","","3028.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1312","0.0913","","","0.2932","0.3269","","","","","","1.058","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515649","32.802","0.005","8.4124","0.0014","10.9145","0.0015","90","","90","","90","","3011.8","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.2129","0.0894","","","0.1912","0.2245","","","","","","0.996","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515650","7.851","0.002","10.524","0.003","15.813","0.004","90","","98.263","0.009","90","","1293","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1565","0.0594","","","0.1213","0.1481","","","","","","1.024","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515651","8.589","0.004","5.946","0.002","15.333","0.006","90","","100.966","0.004","90","","768.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 O2 P -","- C16 H25 O2 P -","- C32 H50 O4 P2 -","2","1","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0647","0.0469","","","0.1015","0.1085","","","","","","1.023","","","","has coordinates","225789","2020-10-21","18:00:00",""
"4515652","10.2543","0.0006","10.9798","0.0007","13.7645","0.0009","90","","90.59","0.001","90","","1549.67","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O3 P -","- C16 H23 O3 P -","- C64 H92 O12 P4 -","4","2","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0291","0.0277","","","0.0711","0.072","","","","","","1.023","","","","has coordinates","225790","2020-10-21","18:00:00",""
"4515653","7.8069","0.0003","7.8369","0.0002","35.3156","0.0011","90","","90","","90","","2160.68","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl F3 O2 S -","- C25 H18 Cl F3 O2 S -","- C100 H72 Cl4 F12 O8 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0549","0.0536","","","0.1259","0.1264","","","","","","1.197","","","","has coordinates","225791","2020-10-21","18:00:00",""
"4515654","7.7702","0.0004","7.7862","0.0004","17.9926","0.0008","90","","100.144","0.003","90","","1071.54","0.09","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 F3 O2 S -","- C26 H21 F3 O2 S -","- C52 H42 F6 O4 S2 -","2","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0334","0.0317","","","0.0781","0.0792","","","","","","1.066","","","","has coordinates","225792","2020-10-21","18:00:00",""
"4515655","9.3182","0.0004","10.5061","0.0005","24.8751","0.0012","90","","90","","90","","2435.2","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C94.8 H60 Cl8.4 D2.8 F12 O16 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","0.71073","MoKα","","0.1015","0.0694","","","0.1775","0.1966","","","","","","1.048","","","","has coordinates","225793","2020-10-21","18:00:00",""
"4515656","13.218","0.003","8.696","0.002","16.546","0.004","90","","98.483","0.004","90","","1881.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.1209","0.0528","","","0.1151","0.145","","","","","","0.987","","","","has coordinates","225794","2020-10-21","18:00:00",""
"4515657","10.559","0.005","8.848","0.004","20.03","0.009","90","","91.424","0.008","90","","1870.7","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.0969","0.048","","","0.1207","0.1516","","","","","","0.958","","","","has coordinates","225795","2020-10-21","18:00:00",""
"4515658","13.7551","0.0017","18.856","0.002","8.4263","0.0009","90","","90","","90","","2185.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Fe N9 O2 -","- C16 H21 Cl2 Fe N9 O2 -","- C64 H84 Cl8 Fe4 N36 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.094","0.0664","","","0.1503","0.1609","","","","","","1.108","","","","has coordinates","225796","2020-10-21","18:00:00",""
"4515659","7.6537","0.0013","10.3038","0.0017","11.7","0.002","69.471","0.002","74.774","0.002","75.983","0.002","822.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O4 S -","- C15 H19 F3 N2 O4 S -","- C30 H38 F6 N4 O8 S2 -","2","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.0363","0.033","","","0.0847","0.0876","","","","","","1.077","","","","has coordinates","225797","2020-10-21","18:00:00",""
"4515660","6.1287","0.0003","17.2349","0.0008","21.6302","0.0011","90","","90","","90","","2284.74","0.19","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 F3 N2 O4 S -","- C18 H22 Cl3 F3 N2 O4 S -","- C72 H88 Cl12 F12 N8 O16 S4 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0397","0.0386","","","0.0983","0.0991","","","","","","1.029","","","","has coordinates","225798","2020-10-21","18:00:00",""
"4515661","11.8893","0.00018","5.2263","0.00008","24.518","0.0004","90","","96.137","0.0012","90","","1514.75","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F3 N O2 -","- C14 H22 F3 N O2 -","- C56 H88 F12 N4 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.069","0.0419","","","0.094","0.107","","","","","","1.015","","","","has coordinates","225799","2020-10-21","18:00:00",""
"4515662","11.579","0.0003","16.9733","0.0005","18.2465","0.0004","90","","90","","90","","3586.05","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F3 N O2 -","- C16 H26 F3 N O2 -","- C128 H208 F24 N8 O16 -","8","2","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0831","0.0515","","","0.1106","0.1265","","","","","","1.01","","","","has coordinates","225800","2020-10-21","18:00:00",""
"4515663","14.9198","0.0003","13.8571","0.0003","9.9498","0.0002","90","","95.4351","0.0015","90","","2047.82","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0931","0.05","","","0.1118","0.1314","","","","","","1.013","","","","has coordinates","225801","2020-10-21","18:00:00",""
"4515664","12.0872","0.0008","12.5682","0.0008","17.2255","0.0013","76.7","0.004","74.058","0.004","76.399","0.004","2407","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As Co K2 Mo6 N O39.5 -","- C17 H15 As Co K2 Mo6 N O39.5 -","- C34 H30 As2 Co2 K4 Mo12 N2 O79 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0494","0.04","","","0.1122","0.1199","","","","","","1.065","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515665","11.9612","0.0004","12.5318","0.0003","17.1943","0.0004","76.499","0.001","74.053","0.002","76.535","0.002","2370.12","0.12","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H44 As K2 Mo6 N Ni O42 -","- C17 H15 As K2 Mo6 N Ni O42 -","- C34 H30 As2 K4 Mo12 N2 Ni2 O84 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0514","0.0433","","","0.1129","0.1193","","","","","","1.023","","","","has coordinates,has disorder","225802","2020-10-21","18:00:00",""
"4515666","12.1425","0.0002","12.5739","0.0002","17.2226","0.0003","76.443","0.001","74.062","0.001","76.225","0.001","2415.16","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H40 As K2 Mo6 N O41 Zn -","- C17 H15 As K2 Mo6 N O41 Zn -","- C34 H30 As2 K4 Mo12 N2 O82 Zn2 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.053","0.043","","","0.1191","0.1266","","","","","","1.054","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515667","12.2865","0.0007","12.6065","0.0007","17.2145","0.0011","76.319","0.003","73.933","0.003","76.064","0.003","2445.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As K2 Mn Mo6 N O40 -","- C17 H17 As K2 Mn Mo6 N O40 -","- C34 H34 As2 K4 Mn2 Mo12 N2 O80 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0398","0.0362","","","0.1095","0.1125","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515668","16.1055","0.0006","18.5246","0.0007","19.0707","0.0008","75.701","0.002","65.877","0.002","64.845","0.002","4681.8","0.3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H87 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C18 H42 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C36 H84 As4 Co K6 Mo24 N12 Na2 O155 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0859","0.0701","","","0.181","0.1943","","","","","","1.056","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515669","12.6575","0.0008","12.671","0.0007","18.5916","0.0009","105.723","0.003","91.318","0.003","106.19","0.003","2740.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H44 As Co0.5 K5 Mo6 O44.5 -","- C21 H15 As Co0.5 K5 Mo6 O44.5 -","- C42 H30 As2 Co K10 Mo12 O89 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0577","0.0485","","","0.1293","0.1356","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515670","11.54858","0.00016","30.1957","0.0004","32.8403","0.0004","64.8392","0.0012","80.3426","0.0011","86.1838","0.0011","10218.4","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H70 N2 Ni O8 -","- C47.5 H70 N2 Ni O8 -","- C380 H560 N16 Ni8 O64 -","8","4","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0554","0.0449","","","0.1174","0.1261","","","","","","1.019","","","","has coordinates,has disorder","225803","2020-10-21","18:00:00",""
"4515671","14.0561","0.0003","14.806","0.0004","22.1265","0.0003","93.854","0.002","102.679","0.002","118.29","0.002","3876.59","0.17","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 N2 Ni O8.5 -","- C95 H88 N2 Ni O8 -","- C190 H176 N4 Ni2 O16 -","2","1","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0453","0.0436","","","0.1121","0.1144","","","","","","1.035","","","","has coordinates,has disorder","225804","2020-10-21","18:00:00",""
"4515672","14.2005","0.0003","10.38306","0.00019","28.0529","0.0005","90","","102.226","0.0019","90","","4042.44","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C216 H176 N16 O24 -","8","1","","Rej, Supriya; Chatani, Naoto","Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System","ACS Catalysis","2018","8","7","6699","","10.1021/acscatal.8b01675","","","1.54184","CuKα","","0.0398","0.0361","","","0.0941","0.0969","","","","","","1.033","","","","has coordinates","225805","2020-10-21","18:00:00",""
"4515673","10.6361","0.001","16.8158","0.0014","19.6467","0.0018","91.7164","0.0011","105.424","0.002","93.774","0.002","3375.9","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 I4 N2 S -","- C27 H36 I4 N2 S -","- C108 H144 I16 N8 S4 -","4","2","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.0376","0.0315","","","0.0787","0.0807","","","","","","1.067","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515674","10.689","0.003","18.743","0.005","16.225","0.004","90","","102.555","0.005","90","","3172.9","1.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl I3 N2 S -","- C27 H36 Cl I3 N2 S -","- C108 H144 Cl4 I12 N8 S4 -","4","1","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.1761","0.1261","","","0.3725","0.3947","","","","","","1.266","","","","has coordinates","225807","2020-10-21","18:00:00",""
"4515675","12.9176","0.0003","15.173","0.0003","16.7769","0.0003","90","","90","","90","","3288.25","0.12","240","2","240","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H20 O7 -","- C17 H19 O7 -","- C136 H152 O56 -","8","2","","Shu, Wei; Merino, Estíbaliz; Nevado, Cristina","Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes","ACS Catalysis","2018","8","7","6401","","10.1021/acscatal.8b00707","","x-ray","1.54184","CuKα","","0.0545","0.0527","","","0.1579","0.1606","","","","","","1.053","","","","has coordinates,has disorder","225808","2020-10-21","18:00:00",""
"4515676","16.7493","0.0011","17.9477","0.0013","9.7237","0.0007","90","","105.053","0.001","90","","2822.8","0.3","187","2","187","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N2 Sc Si2 -","- C27 H39 N2 Sc Si2 -","- C108 H156 N8 Sc4 Si8 -","4","1","","Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei","Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives","ACS Catalysis","2018","8","7","6086","","10.1021/acscatal.8b00885","","","0.71073","MoKα","","0.0851","0.0561","","","0.1227","0.1376","","","","","","1.02","","","","has coordinates","225809","2020-10-21","18:00:00",""
"4515677","11.5304","0.0003","11.8994","0.0003","12.6132","0.0004","107.862","0.003","96.62","0.002","114.133","0.003","1444.35","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H41 N3 O3 -","- C33 H41 N3 O3 -","- C66 H82 N6 O6 -","2","1","","Li, Zhenghua; Song, Liangliang; Van Meervelt, Luc; Tian, Guilong; Van der Eycken, Erik V.","Cationic Gold(I)-Catalyzed Cascade Bicyclizations for Divergent Synthesis of (Spiro)polyheterocycles","ACS Catalysis","2018","8","7","6388","","10.1021/acscatal.8b01789","","x-ray","0.71073","MoKα","","0.0608","0.0502","","","0.1232","0.1302","","","","","","0.998","","","","has coordinates","225810","2020-10-21","18:00:00",""
"4515678","9.2626","0.0003","11.273","0.0005","36.0958","0.0014","90","","90","","90","","3769","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MFtBu","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.0621","0.0425","","","0.1126","0.1405","","","","","","1.089","","","","has coordinates","225811","2020-10-21","18:00:00",""
"4515679","7.3859","0.0004","14.0495","0.0006","19.8207","0.001","90","","95.797","0.002","90","","2046.24","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","TR-82_1DIAST","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.1148","0.0497","","","0.1191","0.164","","","","","","1.048","","","","has coordinates","225812","2020-10-21","18:00:00",""
"4515680","6.0252","0.0003","14.9032","0.0008","19.2088","0.0012","90","","93.713","0.006","90","","1721.23","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin","Trifunctionalization of Allenes via Cobalt-Catalyzed MHP-Assisted C‒H Bond Functionalization and Molecular Oxygen Activation","ACS Catalysis","2018","8","7","6645","","10.1021/acscatal.8b01720","","x-ray","0.71073","MoKα","","0.0543","0.0446","","","0.1143","0.1252","","","","","","1.042","","","","has coordinates","225813","2020-10-21","18:00:00",""
"4515681","15.8675","0.0016","11.3225","0.0013","16.9255","0.0013","90","","116.905","0.003","90","","2711.7","0.5","99.98","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Cl2 -","- C38 H22 Cl2 -","- C152 H88 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0349","0.0327","","","0.0929","0.0953","","","","","","1.06","","","","has coordinates","225814","2020-10-21","18:00:00",""
"4515682","16.6618","0.001","12.3936","0.0006","16.076","0.0014","90","","119.312","0.002","90","","2894.7","0.3","100","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cl2 -","- C40 H26 Cl2 -","- C160 H104 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0362","0.0343","","","0.0967","0.0983","","","","","","1.052","","","","has coordinates","225815","2020-10-21","18:00:00",""
"4515683","13.048","0.0003","15.9745","0.0004","20.3351","0.0005","69.8393","0.0012","74.7061","0.0011","79.3386","0.0011","3817.17","0.16","100","2","100","2","","","","","","","acetonitrile","3","P -1","-P 1","2","","1,3,4-tri(4-tert-butyl-phenyl)-2-methoxy-6-tert-butyl-naphthalene","","- C45 H54 O -","- C45 H54 O -","- C180 H216 O4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.1128","0.0701","","","0.1753","0.2118","","","","","","1.023","","","","has coordinates,has disorder","266887","2021-07-02","05:32:58",""
"4515684","23.156","0.0008","23.156","0.0008","45.3164","0.0015","90","","90","","90","","24298.7","1.4","100","","99.98","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C920 H864 Cl16 F288 N48 O64 P16 Sb16 -","8","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.063","0.0538","","","0.1398","0.1455","","","","","","1.088","","","","has coordinates,has disorder","225817","2020-10-21","18:00:00",""
"4515685","24.6931","0.0012","9.8945","0.0005","11.3008","0.0005","90","","107.002","0.001","90","","2640.4","0.2","100","2","100","2","","","","","","","chloroform","2","C 1 2/c 1","-C 2yc","15","","7-(4-methylphenyl)methylene)-fluoreneo[c:c]fluorene- 7-(bis(4-methylphenyl)methylene)","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.0407","0.0399","","","0.0946","0.0952","","","","","","1.063","","","","has coordinates","225818","2020-10-21","18:00:00",""
"4515686","11.625","0.0008","21.7951","0.0018","24.924","0.002","90","","90","","90","","6314.9","0.8","100","","100","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C228 H212 Au4 Cl4 F72 N12 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0684","0.0554","","","0.153","0.1626","","","","","","1.039","","","","has coordinates","225819","2020-10-21","18:00:00",""
"4515687","14.1224","0.0013","14.3201","0.0006","16.3265","0.0014","111.05","0.006","108.05","0.008","90.835","0.005","2900.2","0.4","100","2","100","2","","","","","","","dichloromethane","10","P -1","-P 1","2","","GON-GC-332","","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","1","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0359","0.0301","","","0.1143","0.1211","","","","","","0.97","","","","has coordinates,has disorder","225820","2020-10-21","18:00:00",""
"4515688","14.5593","0.0007","16.985","0.003","18.089","0.003","90","","90","","90","","4473.2","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","8","P 21 21 21","P 2ac 2ab","19","","2-(5,6-dimethoxy-4,4,7,7-tetraphenyl-1,3,2-dioxaphosphepan-2-yl)- 1,3-diisopropyl-1H-imidazol-3-ium hexafluoroantimonate dichloromethane solvate","","- C42 H50 Cl2 F6 N2 O4 P Sb -","- C41.9999 H49.9998 Cl1.9998 F6 N2 O4 P Sb -","- C168 H199.999 Cl7.9992 F24 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0796","0.0597","","","0.1454","0.1608","","","","","","1.037","","","","has coordinates,has disorder","225821","2020-10-21","18:00:00",""
"4515689","11.2724","0.0011","25.712","0.002","22.718","0.002","90","","98.349","0.003","90","","6514.7","1","100","","99.99","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C256 H236 Cl8 F72 N12 O16 P4 Sb4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0964","0.0634","","","0.1463","0.1638","","","","","","1.019","","","","has coordinates,has disorder","225822","2020-10-21","18:00:00",""
"4515690","6.7543","0.0004","9.853","0.0004","31.4363","0.0018","90","","90","","90","","2092.09","0.19","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 Br2 -","- C28 H18 Br2 -","- C112 H72 Br8 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0166","0.0164","","","0.0455","0.0456","","","","","","1.085","","","","has coordinates","225823","2020-10-21","18:00:00",""
"4515691","11.5608","0.0006","22.3675","0.0009","14.1582","0.0008","90","","95.008","0.002","90","","3647.1","0.3","100","2","100","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C126 H118 Au2 Cl6 F36 N6 O8 P2 Sb2 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0477","0.0455","","","0.1279","0.1296","","","","","","1.102","","","","has coordinates","225824","2020-10-21","18:00:00",""
"4515692","11.8911","0.0012","20.269","0.002","26.818","0.003","90","","90","","90","","6463.7","1.2","100.02","","100.02","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C56 H48 Au Cl5 F18 N2 O4 P Sb -","- C55.9999 H47.9998 Au Cl4.9998 F18 N2 O4 P Sb -","- C224 H191.999 Au4 Cl19.9992 F72 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0512","0.0439","","","0.1132","0.1173","","","","","","1.035","","","","has coordinates,has disorder","225825","2020-10-21","18:00:00",""
"4515693","17.9011","0.0013","8.3634","0.0004","19.4197","0.001","90","","90.871","0.003","90","","2907.1","0.3","100","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25.94 Cl2.06 -","- C40 H25.946 Cl2.054 -","- C160 H103.784 Cl8.216 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0427","0.0365","","","0.1011","0.1056","","","","","","1.036","","","","has coordinates,has disorder","225826","2020-10-21","18:00:00",""
"4515694","8.0652","0.0006","8.3219","0.0012","14.129","0.0018","77.347","0.006","83.454","0.006","80.93","0.006","910.59","0.19","100.04","","100.04","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C42 H50 N6 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0617","0.0506","","","0.1228","0.1297","","","","","","1.048","","","","has coordinates","225827","2020-10-21","18:00:00",""
"4515695","11.8311","0.0015","12.7714","0.0017","12.7734","0.0016","69.209","0.003","81.613","0.003","86.471","0.003","1785","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Li, Deng-Yuan; Liu, Shuo; Chen, Shuang; Wang, An; Zhu, Xiao-Ping; Liu, Pei-Nian","Dual Role of Aryl Iodide in Cascade C‒H Arylation/Amination: Arylation Reagent and Cocatalyst for C‒N Formation","ACS Catalysis","2018","8","7","6407","","10.1021/acscatal.8b01071","","","0.71073","MoKα","","0.0803","0.0557","","","0.1463","0.1643","","","","","","1.009","","","","has coordinates","225828","2020-10-21","18:00:00",""
"4515696","10.811","0.003","16.451","0.004","11.445","0.003","90","","101.668","0.003","90","","1993.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N O4 Zn -","- C20 H26 N O4 Zn -","- C80 H104 N4 O16 Zn4 -","4","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0705","0.049","","","0.1257","0.1355","","","","","","1.046","","","","has coordinates","225829","2020-10-21","18:00:00",""
"4515697","10.2938","0.0013","16.839","0.002","17.23","0.002","73.123","0.002","78.321","0.002","87.036","0.002","2798.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 Ni O4 P -","- C28 H47 Ni O4 P -","- C112 H188 Ni4 O16 P4 -","4","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.053","0.0357","","","0.0843","0.0926","","","","","","1.026","","","","has coordinates","225830","2020-10-21","18:00:00",""
"4515698","7.204","0.004","34.935","0.019","11.091","0.006","90","","92.218","0.008","90","","2789","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 B N O2 -","- C13 H22 B N O2 -","- C104 H176 B8 N8 O16 -","8","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.1656","0.0976","","","0.2671","0.3043","","","","","","1.078","","","","has coordinates","225831","2020-10-21","18:00:00",""
"4515699","7.96","0.002","8.085","0.002","9.656","0.002","108.25","0.003","93.812","0.003","94.208","0.003","585.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0334","0.0307","","","0.0808","0.0826","","","","","","1.058","","","","has coordinates","225832","2020-10-21","18:00:00",""
"4515700","10.001","0.003","10.415","0.003","13.862","0.004","76.659","0.004","77.984","0.004","62.798","0.004","1240.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H41 Ni O4 P -","- C25 H41 Ni O4 P -","- C50 H82 Ni2 O8 P2 -","2","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.092","0.0526","","","0.1007","0.1176","","","","","","1.017","","","","has coordinates","225834","2020-10-21","18:00:00",""
"4515701","6.3927","0.0015","8.606","0.002","10.965","0.002","86.398","0.004","79.115","0.005","86.957","0.005","590.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0347","0.0305","","","0.072","0.074","","","","","","1.052","","","","has coordinates,has disorder","225835","2020-10-21","18:00:00",""
"4515702","6.736","0.003","8.129","0.003","11.969","0.005","101.952","0.014","99.095","0.008","99.806","0.009","619","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0273","0.0243","","","0.0614","0.0626","","","","","","1.066","","","","has coordinates","225836","2020-10-21","18:00:00",""
"4515703","8.78","0.003","10","0.004","13.272","0.005","101.969","0.005","98.6857","0.0018","103.084","0.005","1086.1","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O6 Pd -","- C24 H20 N2 O6 Pd -","- C48 H40 N4 O12 Pd2 -","2","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0356","","","","0.1059","","","","","","0.925","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515704","7.939","0.002","16.611","0.004","16.219","0.004","90","","93.262","0.003","90","","2135.4","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 I N2 O4 Pd -","- C22 H17 I N2 O4 Pd -","- C88 H68 I4 N8 O16 Pd4 -","4","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","0.0418","0.0349","","","0.0948","0.1021","","","","","","0.91","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515705","18.828","0.011","8.059","0.005","12.153","0.008","90","","91.24","0.008","90","","1844","2","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C80 H72 O32 -","4","0.5","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0472","","","","0.1394","","","","","","1.031","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515706","7.258","0.003","18.732","0.007","12.399","0.005","90","","93.746","0.005","90","","1682.1","1.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 -","- C21 H18 Br2 -","- C84 H72 Br8 -","4","1","","Su, Xiang; Chen, Bifeng; Wang, Shaohong; Chen, Hui; Chen, Chao","Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6","ACS Catalysis","2018","8","9","7760","","10.1021/acscatal.8b02448","","","0.71073","MoKα","","0.0415","0.0389","","","0.1022","0.1118","","","","","","1.156","","","","has coordinates","225838","2020-10-21","18:00:00",""
"4515707","21.4471","0.001","6.4084","0.0003","12.069","0.0005","90","","113.464","0.002","90","","1521.62","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C68 H60 N4 O20 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.0247","0.0247","","","0.0652","0.0653","","","","","","1.045","","","","has coordinates","225839","2020-10-21","18:00:00",""
"4515708","8.8312","0.0004","11.2095","0.0006","16.7904","0.0009","90","","90","","90","","1662.14","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.02","0.0193","","","0.0488","0.0491","","","","","","1.044","","","","has coordinates","225840","2020-10-21","18:00:00",""
"4515709","6.8554","0.0003","18.0992","0.0007","11.1588","0.0004","90","","92.472","0.004","90","","1383.26","0.09","290.04","0.1","290.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C68 H48 N8 O16 -","4","1","","Chen, Fei; Lai, Sheng-Qiang; Zhu, Fei-Fei; Meng, Qiang; Jiang, Yu; Yu, Wei; Han, Bing","Cu-Catalyzed Radical Cascade Annulations of Alkyne-Tethered N-Alkoxyamides with Air: Facile Access to Isoxazolidine/1,2-Oxazinane-Fused Isoquinolin-1(2H)-ones","ACS Catalysis","2018","8","9","8925","","10.1021/acscatal.8b02445","","x-ray","1.54184","CuKα","","0.0551","0.0505","","","0.1318","0.1364","","","","","","0.849","","","","has coordinates","225841","2020-10-21","18:00:00",""
"4515710","8.6737","0.0003","8.7731","0.0004","13.6686","0.0006","78.458","0.004","75.85","0.003","88.359","0.003","987.94","0.07","295.32","0.11","295.32","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl Ir N O -","- C18 H29 Cl Ir N O -","- C36 H58 Cl2 Ir2 N2 O2 -","2","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.0481","0.0467","","","0.1164","0.1188","","","","","","1.069","","","","has coordinates","225842","2020-10-21","18:00:00",""
"4515711","12.5365","0.0003","14.4554","0.0004","17.4788","0.0004","90","","103.091","0.003","90","","3085.19","0.14","294.05","0.1","294.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O2 S2 -","- C32 H38 N2 O2 S2 -","- C128 H152 N8 O8 S8 -","4","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.1174","0.103","","","0.3134","0.3425","","","","","","1.438","","","","has coordinates","225843","2020-10-21","18:00:00",""
"4515712","10.307","0.0013","26.879","0.003","20.89","0.003","90","","101.156","0.002","90","","5678","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12.5 Al Cl F15.5 N -","- C30 H13 Al Cl F15.5 N -","- C240 H104 Al8 Cl8 F124 N8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.1086","0.0596","","","0.1534","0.1831","","","","","","1.04","","","","has coordinates","225844","2020-10-21","18:00:00",""
"4515713","9.3329","0.0006","10.0874","0.0006","11.22","0.0007","67.672","0.001","88.245","0.001","65.949","0.001","882.58","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0417","0.0354","","","0.0892","0.093","","","","","","1.016","","","","has coordinates","225845","2020-10-21","18:00:00",""
"4515714","10.4075","0.001","10.6369","0.001","13.0972","0.0012","79.781","0.002","79.01","0.002","71.612","0.002","1339.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Al F16 N4 -","- C27 H14 Al F16 N4 -","- C54 H28 Al2 F32 N8 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0493","0.0419","","","0.1297","0.1398","","","","","","1.044","","","","has coordinates","225846","2020-10-21","18:00:00",""
"4515715","7.4782","0.0015","17.022","0.004","9.979","0.002","90","","107.975","0.004","90","","1208.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H9 Al F15 N -","- C27 H9 Al F15 N -","- C54 H18 Al2 F30 N2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0642","0.0489","","","0.1072","0.1157","","","","","","1.057","","","","has coordinates","225847","2020-10-21","18:00:00",""
"4515716","11.7791","0.0011","5.8649","0.0005","21.894","0.002","90","","92.863","0.001","90","","1510.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 O2 S2 -","- C15 H11 F3 O2 S2 -","- C60 H44 F12 O8 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.0512","0.0418","","","0.0712","0.0717","","","","","","3.5","","","","has coordinates","225848","2020-10-21","18:00:00",""
"4515717","10.219","0.007","20.254","0.012","10.852","0.007","90","","107.747","0.006","90","","2139","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F4 O3 S2 -","- C21 H20 F4 O3 S2 -","- C84 H80 F16 O12 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.1118","0.0543","","","0.1463","0.1922","","","","","","1.031","","","","has coordinates","225849","2020-10-21","18:00:00",""
"4515718","18.6272","0.0002","10.623","0.0001","23.1001","0.0003","90","","101.192","0.001","90","","4484.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Mn N O2 P2 -","- C21 H36 Mn N O2 P2 -","- C168 H288 Mn8 N8 O16 P16 -","8","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","1.54184","CuKα","","0.0414","0.0391","","","0.1116","0.1133","","","","","","1.1","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515719","11.6109","0.0002","18.5885","0.0002","21.5322","0.0003","90","","99.218","0.001","90","","4587.26","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Mn2 N4 O4 P4 -","- C42 H68 Mn2 N4 O4 P4 -","- C168 H272 Mn8 N16 O16 P16 -","4","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","0.71073","MoKα","","0.0426","0.0309","","","0.071","0.0773","","","","","","1.033","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515720","12.7712","0.0011","19.068","0.0014","15.4049","0.0012","90","","110.526","0.002","90","","3513.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Fe N3 P2 Si2 -","- C29 H55 Fe N3 P2 Si2 -","- C116 H220 Fe4 N12 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0672","0.039","","","0.0807","0.0908","","","","","","1.007","","","","has coordinates","225851","2020-10-21","18:00:00",""
"4515721","10.589","0.004","12.811","0.005","15.92","0.006","92.93","0.015","104.249","0.014","99.001","0.013","2058.3","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H67 Fe N3 P3 Si2 -","- C35 H67 Fe N3 P3 Si2 -","- C70 H134 Fe2 N6 P6 Si4 -","2","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0619","0.0355","","","0.0806","0.0917","","","","","","0.99","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515722","16.778","0.0009","15.4527","0.0009","16.706","0.0011","90","","99.322","0.002","90","","4274.1","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H58 Fe N4 P2 Si2 -","- C31 H58 Fe N4 P2 Si2 -","- C124 H232 Fe4 N16 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0651","0.0417","","","0.1009","0.1165","","","","","","1.008","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515723","18.6843","0.0014","11.1179","0.0009","18.9515","0.0014","90","","110.665","0.002","90","","3683.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Fe N6 P2 -","- C40 H50 Fe N6 P2 -","- C160 H200 Fe4 N24 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0465","0.0365","","","0.0898","0.0963","","","","","","1.021","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515724","18.764","0.002","11.2867","0.0013","20.592","0.002","90","","114.08","0.003","90","","3981.5","0.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B Fe N5 O2 P2 -","- C39 H58 B Fe N5 O2 P2 -","- C156 H232 B4 Fe4 N20 O8 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0585","0.0402","","","0.0934","0.1034","","","","","","1.041","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515725","11.6782","0.0005","8.2226","0.0004","20.44","0.001","90","","99.939","0.005","90","","1933.3","0.16","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N O Ru -","- C22 H24 Cl N O Ru -","- C88 H96 Cl4 N4 O4 Ru4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0505","0.0469","","","0.1227","0.1292","","","","","","1.028","","","","has coordinates","225852","2020-10-21","18:00:00",""
"4515726","8.295","0.007","11.086","0.01","21.615","0.016","90","","93.5","0.08","90","","1984","3","295.28","0.11","295.28","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yjs-zlq-1","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.1258","0.1036","","","0.2167","0.253","","","","","","1.14","","","","has coordinates","225853","2020-10-21","18:00:00",""
"4515727","13.2275","0.0002","10.9193","0.0002","24.4944","0.0004","90","","98.3993","0.0017","90","","3499.9","0.1","293.4","0.5","293.4","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F6 N2 O2 Ru Sb -","- C33 H39 F6 N2 O2 Ru Sb -","- C132 H156 F24 N8 O8 Ru4 Sb4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0668","0.0596","","","0.1555","0.1654","","","","","","1.012","","","","has coordinates","225854","2020-10-21","18:00:00",""
"4515728","12.0659","0.0003","12.6901","0.0002","13.3087","0.0003","94.285","0.001","102.738","0.002","90.704","0.002","1981.22","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H43 Br Mn N O4 P2 -","- C47 H43 Br Mn N O4 P2 -","- C94 H86 Br2 Mn2 N2 O8 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0643","0.0612","","","0.161","0.1637","","","","","","1.03","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515729","10.0379","0.0001","11.3687","0.0001","15.6568","0.0002","73.97","0.001","77.542","0.001","72.82","0.001","1623.02","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H31 B Mn N O2 P2 -","- C39 H31 B Mn N O2 P2 -","- C78 H62 B2 Mn2 N2 O4 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0505","0.049","","","0.1158","0.1167","","","","","","1.038","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515730","37.5012","0.0005","37.5012","0.0005","11.98047","0.00016","90","","90","","120","","14591.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H31 Mn N2 O2 P2 -","- C39 H31 Mn N2 O2 P2 -","- C702 H558 Mn18 N36 O36 P36 -","18","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.054","0.0501","","","0.1434","0.1473","","","","","","1.072","","","","has coordinates","225855","2020-10-21","18:00:00",""
"4515731","9.7404","0.0006","13.3126","0.0008","17.0002","0.001","90","","104.115","0.003","90","","2137.9","0.2","143","","143","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br Cl2 N O Pt -","- C20 H20 Br Cl2 N O Pt -","- C80 H80 Br4 Cl8 N4 O4 Pt4 -","4","1","","Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi","Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts","ACS Catalysis","2018","8","9","7773","","10.1021/acscatal.8b01646","","","0.71075","MoKα","","0.0381","0.0289","","","0.0582","0.0617","","","","","","0.997","","","","has coordinates","225856","2020-10-21","18:00:00",""
"4515732","10.0186","0.0003","10.0186","0.0003","30.9734","0.0011","90","","90","","90","","3108.87","0.17","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H41 Cl2 N Ru S -","- C33 H41 Cl2 N Ru S -","- C132 H164 Cl8 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0314","0.0287","","","0.0571","0.0583","","","","","","1.003","","","","has coordinates","225857","2020-10-21","18:00:00",""
"4515733","16.3382","0.0007","16.5805","0.0007","10.4655","0.0005","90","","90","","90","","2835.1","0.2","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 Cl2 F3 N Ru S -","- C28 H36 Cl2 F3 N Ru S -","- C112 H144 Cl8 F12 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0235","0.0201","","","0.0423","0.0438","","","","","","1.004","","","","has coordinates","225858","2020-10-21","18:00:00",""
"4515734","11.0669","0.0003","14.1689","0.0004","17.6536","0.0005","103.228","0.001","94.276","0.001","100.447","0.001","2630.52","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 Cl2 F3 N Ru S -","- C26 H32 Cl2 F3 N Ru S -","- C104 H128 Cl8 F12 N4 Ru4 S4 -","4","2","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0502","0.0377","","","0.0869","0.0955","","","","","","1.025","","","","has coordinates","225859","2020-10-21","18:00:00",""
"4515735","19.868","0.0007","9.2131","0.0003","17.5258","0.0007","90","","90","","90","","3208","0.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H39 Cl4 N Ru S -","- C32 H39 Cl4 N Ru S -","- C128 H156 Cl16 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0296","0.0273","","","0.0596","0.0607","","","","","","1.005","","","","has coordinates","225860","2020-10-21","18:00:00",""
"4515736","12.6411","0.0013","16.3119","0.0016","19.7095","0.0018","90","","106.372","0.003","90","","3899.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 S Y2 -","- C43 H60 S Y2 -","- C172 H240 S4 Y8 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0943","0.0435","","","0.0758","0.0893","","","","","","1.047","","","","has coordinates","225861","2020-10-21","18:00:00",""
"4515737","16.796","0.002","8.4624","0.0013","16.616","0.002","90","","102.549","0.005","90","","2305.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 S Y -","- C25 H33 S Y -","- C100 H132 S4 Y4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0439","0.0323","","","0.0773","0.0836","","","","","","1.037","","","","has coordinates","225862","2020-10-21","18:00:00",""
"4515738","10.343","0.0007","10.6225","0.0007","10.683","0.0006","94.507","0.002","108.927","0.002","92.924","0.002","1103.18","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","1","0.5","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0501","0.0463","","","0.1549","0.1574","","","","","","1.022","","","","has coordinates","225863","2020-10-21","18:00:00",""
"4515739","9.7426","0.0009","9.7458","0.0008","18.818","0.0014","90","","90.465","0.003","90","","1786.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 S Si -","- C20 H20 S Si -","- C80 H80 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0449","0.0372","","","0.0948","0.1","","","","","","1.054","","","","has coordinates","225864","2020-10-21","18:00:00",""
"4515740","10.304","0.0007","17.9385","0.0015","11.4674","0.0009","90","","107.757","0.002","90","","2018.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N S Si -","- C23 H21 N S Si -","- C92 H84 N4 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.06","0.0445","","","0.1106","0.1198","","","","","","1.053","","","","has coordinates,has disorder","225865","2020-10-21","18:00:00",""
"4515741","9.6875","0.001","13.7823","0.0016","17.6769","0.0018","90","","90","","90","","2360.1","0.4","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl3 Ir N O3 -","- C21 H25 Cl3 Ir N O3 -","- C84 H100 Cl12 Ir4 N4 O12 -","4","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0494","0.0378","","","0.094","0.0988","","","","","","1.042","","","","has coordinates","225866","2020-10-21","18:00:00",""
"4515742","18.4094","0.0018","18.4094","0.0018","11.3169","0.0007","90","","90","","120","","3321.5","0.5","150","2","150","","","","","","","","","6","P 61","P 61","169","","","","- C21 H25 Cl Ir N O3 -","- C21 H25 Cl Ir N O3 -","- C126 H150 Cl6 Ir6 N6 O18 -","6","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0342","0.0289","","","0.067","0.0686","","","","","","1.051","","","","has coordinates","225867","2020-10-21","18:00:00",""
"4515743","7.421","0.003","16.048","0.006","8.176","0.003","90","","101.174","0.011","90","","955.2","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C40 H48 Cl2 N2 O8 -","2","1","","Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M.","Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides.","ACS catalysis","2018","8","9","7907","7914","10.1021/acscatal.8b02206","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.0362","","","0.0774","0.0809","","","","","","1.027","","","","has coordinates","225868","2020-10-21","18:00:00",""
"4515744","16.4612","0.0008","13.7221","0.0007","26.85","0.0013","90","","90","","90","","6064.9","0.5","100","2","100","2","","","","","","","dichloromethane","6","P b c a","-P 2ac 2ab","61","","N-(2,6-diisopropyl-phenyl)-2-dicyclohexyl- phosphinyl-pyridinium hexafluoroantimonate","","- C29 H43 F6 N P Sb -","- C29 H43 F6 N P Sb -","- C232 H344 F48 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","1.54178","Cu-Kα","","0.0356","0.0339","","","0.089","0.0908","","","","","","1.048","","","","has coordinates,has disorder","225869","2020-10-21","18:00:00",""
"4515745","27.034","0.004","8.1387","0.0011","29.826","0.004","90","","95.017","0.002","90","","6537.2","1.6","100","2","100","2","","","","","","","dichloromthane, tetrahydrofuran","6","C 1 2/c 1","-C 2yc","15","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinyl-pyridinium hexafluoroantimonate","","- C30 H21 F18 N P Sb -","- C30 H21 F18 N P Sb -","- C240 H168 F144 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0643","0.0596","","","0.1159","0.1176","","","","","","1.252","","","","has coordinates,has disorder","225870","2020-10-21","18:00:00",""
"4515746","8.7962","0.0006","27.1915","0.0018","16.076","0.0014","90","","103.535","0.009","90","","3738.3","0.5","100","2","100","2","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate acetonitrile","","- C32 H24 Au Cl F18 N2 P Sb -","- C32 H24 Au Cl F18 N2 P Sb -","- C128 H96 Au4 Cl4 F72 N8 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0307","0.0252","","","0.0601","0.0633","","","","","","1.109","","","","has coordinates,has disorder","225871","2020-10-21","18:00:00",""
"4515747","8.4844","0.0011","13.1717","0.0017","13.5679","0.0017","92.667","0.002","105.963","0.002","100.874","0.002","1423.8","0.3","100","2","100","2","","","","","","","tetrahydrofuran, dichloromethane","7","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinyl-pyridinium hexafluoroantimonate dichloromethane","","- C27 H27 Cl2 F6 N P Sb -","- C27 H27 Cl2 F6 N P Sb -","- C54 H54 Cl4 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0636","0.0544","","","0.1467","0.1546","","","","","","1.029","","","","has coordinates,has disorder","225872","2020-10-21","18:00:00",""
"4515748","10.6409","0.0009","16.737","0.002","17.0626","0.0014","82.428","0.008","84.084","0.005","87.346","0.009","2994.6","0.5","150","2","150","2","","","","","","","dichloromethane, pentane","8","P -1","-P 1","2","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinylchlorogold(i)- pyridinium hexafluoroantimonate","","- C26 H37 Au Cl F6 N P Sb -","- C26 H37 Au Cl F6 N P Sb -","- C104 H148 Au4 Cl4 F24 N4 P4 Sb4 -","4","2","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0899","0.0587","","","0.1377","0.1562","","","","","","1.049","","","","has coordinates,has disorder","225873","2020-10-21","18:00:00",""
"4515749","13.8885","0.0009","13.3919","0.0006","15.6069","0.0018","90","","112.626","0.006","90","","2679.4","0.4","150","2","150","2","","","","","","","dichloormethane, pentane","6","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinyl-pyridinium hexafluoroantimonate","","- C26 H37 F6 N P Sb -","- C26 H37 F6 N P Sb -","- C104 H148 F24 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0458","0.038","","","0.0948","0.1009","","","","","","1.03","","","","has coordinates,has disorder","225874","2020-10-21","18:00:00",""
"4515750","11.9033","0.0009","8.2433","0.0007","28.535","0.002","90","","99.672","0.003","90","","2760.1","0.4","100","","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl F6 Ir N P Sb -","- C26 H29 Cl F6 Ir N P Sb -","- C104 H116 Cl4 F24 Ir4 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0573","0.0506","","","0.1086","0.1109","","","","","","1.173","","","","has coordinates","225875","2020-10-21","18:00:00",""
"4515751","10.004","0.0004","10.1489","0.0004","15.7193","0.0009","107.808","0.003","92.182","0.004","112.364","0.003","1383.43","0.12","100","2","100","2","","","","","","","dichloromethane","8","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinylchlorogold(i)-pyridinium hexafluoroantimonate","","- C26 H25 Au Cl F6 N P Sb -","- C26 H25 Au Cl F6 N P Sb -","- C52 H50 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0154","0.0143","","","0.0359","0.0365","","","","","","1.091","","","","has coordinates","225876","2020-10-21","18:00:00",""
"4515752","8.9106","0.0012","12.9646","0.0017","19.744","0.003","73.397","0.002","82.399","0.002","85.849","0.002","2165.1","0.5","100","2","100","2","","","","","","","dichloromethane","9","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate dichloromethane","","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C63 H48 Au2 Cl12 F36 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0584","0.054","","","0.1243","0.1264","","","","","","1.114","","","","has coordinates,has disorder","225877","2020-10-21","18:00:00",""
"4515753","11.0227","0.0008","11.4514","0.0009","15.2564","0.0011","69.58","0.003","76.609","0.003","74.008","0.002","1715.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H40 O5 -","- C46 H40 O5 -","- C92 H80 O10 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0551","0.0487","","","0.1324","0.1379","","","","","","1.043","","","","has coordinates,has disorder","225878","2020-10-21","18:00:00",""
"4515754","8.3643","0.0009","11.8205","0.0013","13.1583","0.0014","91.321","0.002","104.359","0.002","99.991","0.002","1238.2","0.2","100","2","100","2","","","","","","","dichloromethane, tetrahydrofuran","7","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-diphenyl- phosphinyl-pyridinium hexafluoroantimonate","","- C25 H23 F6 N O2 P Sb -","- C25 H23 F6 N O2 P Sb -","- C50 H46 F12 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0273","0.0229","","","0.0569","0.0591","","","","","","0.96","","","","has coordinates","225879","2020-10-21","18:00:00",""
"4515755","26.96","0.01","8.264","0.003","9.337","0.004","90","","107.363","0.005","90","","1985.5","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Liu, Xihong; Wang, Pengxin; Bai, Lutao; Li, Dan; Wang, Linqing; Yang, Dongxu; Wang, Rui","Construction of Vicinal All-Carbon Quaternary Stereocenters Enabled by a Catalytic Asymmetric Dearomatization Reaction of β-Naphthols with 3-Bromooxindoles","ACS Catalysis","2018","8","11","10888","","10.1021/acscatal.8b03905","","","0.71073","MoKα","","0.0367","0.0341","","","0.1","0.1048","","","","","","0.999","","","","has coordinates","225880","2020-10-21","18:00:00",""
"4515756","6.4088","0.0002","7.0686","0.0002","19.8625","0.0005","90","","93.865","0.002","90","","897.75","0.04","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O -","- C22 H22 N4 O -","- C44 H44 N8 O2 -","2","1","","Marichev, Kostiantyn O.; Adly, Frady G.; Carranco, Alejandra M.; Garcia, Estevan C.; Arman, Hadi; Doyle, Michael P.","Catalyst Choice for Highly Enantioselective [3 + 3]-Cycloaddition of Enoldiazocarbonyl Compounds","ACS Catalysis","2018","8","11","10392","","10.1021/acscatal.8b03391","","x-ray","0.71073","MoKα","","0.0373","0.036","","","0.0808","0.082","","","","","","1.05","","","","has coordinates","225881","2020-10-21","18:00:00",""
"4515757","25.286","0.005","23.295","0.005","20.693","0.004","90","","127.48","0.03","90","","9673","5","200","","200","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C50.31 H48.22 B Cl1.39 F4 Fe N2 Ni O1.31 S2 -","- C50.307 H48.226 B Cl1.39 F4 Fe N2 Ni O1.306 S2 -","- C402.456 H385.808 B8 Cl11.12 F32 Fe8 N16 Ni8 O10.448 S16 -","8","1","","Brazzolotto, Deborah; Wang, Lianke; Tang, Hao; Gennari, Marcello; Queyriaux, Nicolas; Philouze, Christian; Demeshko, Serhiy; Meyer, Franc; Orio, Maylis; Artero, Vincent; Hall, Michael B.; Duboc, Carole","Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process","ACS Catalysis","2018","8","11","10658","","10.1021/acscatal.8b02830","","x-ray","0.71073","MoKα","","0.0868","0.0666","","","0.1507","0.1615","","","","","","1.241","","","","has coordinates,has disorder","225882","2020-10-21","18:00:00",""
"4515758","9.1903","0.0002","10.9348","0.0003","17.0654","0.0004","90","","90","","90","","1714.97","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","","Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen","Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis","ACS Catalysis","2018","8","11","10599","","10.1021/acscatal.8b02617","","","1.54178","CuKα","","0.0671","0.0655","","","0.167","0.1691","","","","","","1.092","","","","has coordinates","225883","2020-10-21","18:00:00",""
"4515759","12.992","0.003","16.505","0.005","17.872","0.005","90","","102.41","0.01","90","","3742.8","1.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H94 F9 Ho N4 O22 S3 -","- C58 H94 F9 Ho N4 O22 S3 -","- C116 H188 F18 Ho2 N8 O44 S6 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","1.54178","CuKα","","0.0368","0.0354","","","0.0923","0.0933","","","","","","1.042","","","","has coordinates,has disorder","225884","2020-10-21","18:00:00",""
"4515760","13.9107","0.0009","13.9185","0.0008","15.4002","0.001","90","","109.507","0.004","90","","2810.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N2 O6 S -","- C30 H32 N2 O6 S -","- C120 H128 N8 O24 S4 -","4","2","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.0536","0.0411","","","0.0879","0.0957","","","","","","1.001","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515761","9.458","0.003","25.399","0.008","11.67","0.004","90","","93.281","0.012","90","","2798.8","1.6","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C84 H120 Br4 F18 N8 O32 S6 Tm2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.118","0.0778","","","0.1882","0.2152","","","","","","1.028","","","","has coordinates,has disorder","225886","2020-10-21","18:00:00",""
"4515762","9.3322","0.0003","18.7754","0.0005","9.4931","0.0003","90","","107.649","0.003","90","","1585.05","0.09","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O6 S -","- C36 H36 N2 O6 S -","- C72 H72 N4 O12 S2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","x-ray","1.54184","CuKα","","0.0515","0.0504","","","0.1282","0.1303","","","","","","1.048","","","","has coordinates","225887","2020-10-21","18:00:00",""
"4515763","12.2999","0.0013","14.3668","0.0016","15.8349","0.0018","90","","90","","90","","2798.2","0.5","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl F N4 O8 -","- C27 H28 Cl F N4 O8 -","- C108 H112 Cl4 F4 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.1043","0.067","","","0.169","0.1906","","","","","","1.031","","","","has coordinates","225888","2020-10-21","18:00:00",""
"4515764","12.4437","0.0012","15.4069","0.0015","15.5019","0.0016","90","","90","","90","","2972","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N4 O8 -","- C27 H28 Cl2 N4 O8 -","- C108 H112 Cl8 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.0631","0.0487","","","0.1304","0.1408","","","","","","1.054","","","","has coordinates,has disorder","225889","2020-10-21","18:00:00",""
"4515765","10.4443","0.0003","14.5326","0.0004","38.8497","0.001","90","","90","","90","","5896.7","0.3","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H31 N5 O7 -","- C30 H31 N5 O7 -","- C240 H248 N40 O56 -","8","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","1.54178","CuKα","","0.045","0.0433","","","0.1034","0.1047","","","","","","1.071","","","","has coordinates","225890","2020-10-21","18:00:00",""
"4515766","11.7118","0.0006","39.9043","0.0017","6.266","0.0003","90","","97.254","0.002","90","","2905","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N O4 S -","- C32 H39 N O4 S -","- C128 H156 N4 O16 S4 -","4","1","","Jiang, Fei; Yuan, Fu-Ru; Jin, Li-Wen; Mei, Guang-Jian; Shi, Feng","Metal-Catalyzed (4 + 3) Cyclization of Vinyl Aziridines withpara-Quinone Methide Derivatives","ACS Catalysis","2018","8","11","10234","","10.1021/acscatal.8b03410","","","0.71073","MoKα","","0.0959","0.0648","","","0.1724","0.2012","","","","","","1.018","","","","has coordinates","225891","2020-10-21","18:00:00",""
"4515767","6.7169","0.0005","11.3747","0.0007","13.8249","0.001","67.899","0.007","87.885","0.006","79.889","0.006","962.96","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O3 Pd -","- C22 H22 N2 O3 Pd -","- C44 H44 N4 O6 Pd2 -","2","1","","Maji, Arun; Reddi, Yernaidu; Sunoj, Raghavan B.; Maiti, Debabrata","Mechanistic Insights on Orthogonal Selectivity in Heterocycle Synthesis","ACS Catalysis","2018","8","11","10111","","10.1021/acscatal.8b02537","","x-ray","0.71073","MoKα","","0.0633","0.0472","","","0.0892","0.0994","","","","","","1.039","","","","has coordinates","225892","2020-10-21","18:00:00",""
"4515768","10.4797","0.0004","13.5923","0.0005","13.9879","0.0006","91.294","0.002","92.227","0.003","91.361","0.002","1989.86","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H51 Bi O8 P Rh -","- C38 H51 Bi O8 P Rh -","- C76 H102 Bi2 O16 P2 Rh2 -","2","1","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0614","0.0408","","","0.0879","0.0959","","","","","","1.02","","","","has coordinates,has disorder","225893","2020-10-21","18:00:00",""
"4515769","22.2169","0.0005","22.2169","0.0005","10.9063","0.0003","90","","90","","90","","5383.2","0.2","200","2","200","","","","","","","","","7","I 4","I 4","79","","","","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C135.68 H191.36 Bi2 N8 O35.92 Rh2 S8 -","2","0.25","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0444","0.0361","","","0.0913","0.0956","","","","","","1.07","","","","has coordinates,has disorder","225894","2020-10-21","18:00:00",""
"4515770","7.1256","0.0002","13.4641","0.0004","8.7896","0.0003","90","","102.373","0.001","90","","823.69","0.04","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H28 Cl Ir P2 -","- C14 H28 Cl Ir P2 -","- C28 H56 Cl2 Ir2 P4 -","2","0.5","","Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun","Rational Design of a Catalyst for the Selective Monoborylation of Methane","ACS Catalysis","2018","8","11","10021","","10.1021/acscatal.8b02771","","","0.71073","MoKα","","0.0194","0.0163","","","0.034","0.0349","","","","","","1.059","","","","has coordinates,has disorder","225895","2020-10-21","18:00:00",""
"4515771","9.2992","0.0011","15.198","0.0011","12.6751","0.0008","90","","99.38","0.009","90","","1767.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.1051","0.0647","","","0.1416","0.1775","","","","","","1.053","","","","has coordinates","225896","2020-10-21","18:00:00",""
"4515772","10.5957","0.0009","18.8441","0.0017","7.6415","0.0005","90","","90","","90","","1525.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.0607","0.0469","","","0.0947","0.1048","","","","","","1.064","","","","has coordinates","225897","2020-10-21","18:00:00",""
"4515773","9.097","0.004","12.191","0.005","13.111","0.005","114.466","0.006","95.343","0.007","108.732","0.007","1209.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.0828","0.0508","","","0.1369","0.1579","","","","","","1.009","","","","has coordinates","225898","2020-10-21","18:00:00",""
"4515774","12.157","0.003","12.525","0.002","12.945","0.003","90","","91.141","0.005","90","","1970.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.1588","0.0614","","","0.1272","0.1691","","","","","","0.987","","","","has coordinates","225899","2020-10-21","18:00:00",""
"4515775","11.6456","0.0007","5.1414","0.0003","13.0095","0.0007","90","","110.064","0.004","90","","731.67","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Hota, Pradip Kumar; Sau, Samaresh Chandra; Mandal, Swadhin K.","Metal-Free Catalytic Formylation of Amides Using CO2 under Ambient Conditions","ACS Catalysis","2018","8","12","11999","","10.1021/acscatal.8b04023","","","0.71073","MoKα","","0.0775","0.045","","","0.1169","0.1319","","","","","","0.897","","","","has coordinates","225900","2020-10-21","18:00:00",""
"4515776","7.4546","0.0012","13.367","0.002","24.063","0.004","90","","90","","90","","2397.8","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br I N2 O4 S -","- C24 H22 Br I N2 O4 S -","- C96 H88 Br4 I4 N8 O16 S4 -","4","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0322","0.0284","","","0.0682","0.0694","","","","","","1.05","","","","has coordinates","225901","2020-10-21","18:00:00",""
"4515777","6.8374","0.0003","14.8665","0.0006","12.6176","0.0006","90","","105.716","0.0015","90","","1234.61","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N2 O4 S -","- C26 H25 I N2 O4 S -","- C52 H50 I2 N4 O8 S2 -","2","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0204","0.02","","","0.0526","0.0527","","","","","","1.082","","","","has coordinates","225902","2020-10-21","18:00:00",""
"4515778","24.897","0.003","5.8589","0.0006","26.361","0.003","90","","100.161","0.004","90","","3784.9","0.7","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O3 -","- C26 H18 O3 -","- C208 H144 O24 -","8","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0983","0.0532","","","0.0994","0.1152","","","","","","1.018","","","","has coordinates","225903","2020-10-21","18:00:00",""
"4515779","5.8118","0.0008","7.6603","0.001","13.506","0.002","82.491","0.007","89.314","0.007","82.461","0.007","590.97","0.14","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0455","0.0358","","","0.0858","0.0908","","","","","","1.055","","","","has coordinates","225904","2020-10-21","18:00:00",""
"4515780","7.7134","0.0003","7.817","0.0003","7.9908","0.0003","97.754","0.003","108.946","0.003","112.35","0.004","402.67","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.7107","MoKα","","0.034","0.03","","","0.0642","0.0665","","","","","","1.117","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515781","7.1984","0.0005","9.6255","0.0006","12.8058","0.0008","68.524","0.016","86.291","0.018","81.137","0.018","815.79","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0286","0.024","","","0.0559","0.058","","","","","","1.051","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515782","9.6082","0.0006","9.7882","0.0007","10.2905","0.0006","106.301","0.008","106.481","0.008","110.355","0.008","788.82","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0269","0.0246","","","0.0632","0.0638","","","","","","1.239","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515783","9.7378","0.0006","11.39","0.0007","16.7268","0.0009","90","","93.494","0.01","90","","1851.78","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl8 D6 N2 W2 -","- C30 H34 Cl8 D6 N2 W2 -","- C60 H68 Cl16 D12 N4 W4 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0305","","","0.0611","0.0654","","","","","","1.059","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515784","11.3589","0.0005","11.3408","0.0005","11.9422","0.0006","90","","100.845","0.006","90","","1510.91","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 F3 N O W -","- C10 H10 Cl4 F3 N O W -","- C40 H40 Cl16 F12 N4 O4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0317","0.0209","","","0.0466","0.0488","","","","","","0.997","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515785","8.5798","0.0007","14.0708","0.001","17.3875","0.0014","95.674","0.01","98.423","0.009","97.281","0.009","2044.9","0.3","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O W -","- C16 H25 Cl4 N O W -","- C64 H100 Cl16 N4 O4 W4 -","4","2","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0433","0.0284","","","0.0596","0.0645","","","","","","1.03","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515786","9.5696","0.0003","10.714","0.0003","40.8756","0.0012","90","","90","","90","","4190.9","0.2","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H54 Cl7 N3 W2 -","- C32 H54 Cl7 N3 W2 -","- C128 H216 Cl28 N12 W8 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.1053","0.0926","","","0.1621","0.1673","","","","","","1.287","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515787","15.7347","0.0005","13.6973","0.0004","12.7686","0.0004","90","","90","","90","","2751.93","0.15","120","2","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H45 Cl N P3 W -","- C21 H45 Cl N P3 W -","- C84 H180 Cl4 N4 P12 W4 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0577","0.0545","","","0.1297","0.1311","","","","","","1.386","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515788","6.3483","0.001","7.2804","0.0011","11.9671","0.0018","90","","93.604","0.01","90","","552","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(phenylimido)trimethyl tungsten chloride","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0404","0.0405","","","","","","1.323","","","","has coordinates,has disorder","266888","2021-07-02","05:34:22",""
"4515789","10.0824","0.0005","16.3429","0.001","13.3029","0.0007","90","","96.616","0.006","90","","2177.4","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Al Cl4 N W -","- C15 H26 Al Cl4 N W -","- C60 H104 Al4 Cl16 N4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0342","0.0351","","","","","","1.034","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515790","14.4162","0.0002","32.8597","0.0006","20.2434","0.0004","90","","109.886","0.002","90","","9017.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H120 Co2 N7 O34 V W9 -","- C56 H120 Co2 N7 O34 V W9 -","- C224 H480 Co8 N28 O136 V4 W36 -","4","1","","Sullivan, Kevin P.; Wieliczko, Marika; Kim, Mooeung; Yin, Qiushi; Collins-Wildman, Daniel L.; Mehta, Anil K.; Bacsa, John; Lu, Xinlin; Geletii, Yurii V.; Hill, Craig L.","Speciation and Dynamics in the [Co4V2W18O68]10‒/Co(II)aq/CoOx Catalytic Water Oxidation System","ACS Catalysis","2018","8","12","11952","","10.1021/acscatal.7b01030","","x-ray","0.71073","MoKα","","0.1281","0.1151","","","0.2831","0.2904","","","","","","1.163","","","","has coordinates,has disorder","225906","2020-10-21","18:00:00",""
"4515791","9.9646","0.0015","31.521","0.005","6.9339","0.0007","90","","101.603","0.012","90","","2133.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Wang, Huifei; Qiu, Shuxian; Wang, Sasa; Zhai, Hongbin","Pd-Catalyzed Umpolung of π‒Allylpalladium Intermediates: Assembly of All-Carbon α-Vinyl Quaternary Aldehydes through C(sp3)‒C(sp3) Coupling","ACS Catalysis","2018","8","12","11960","","10.1021/acscatal.8b03814","","x-ray","1.54184","CuKα","","0.1276","0.0965","","","0.2589","0.2933","","","","","","1.046","","","","has coordinates","225907","2020-10-21","18:00:00",""
"4515792","11.7665","0.0011","26.084","0.003","21.832","0.0018","90","","92.097","0.003","90","","6696.1","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","shs302m","","","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C240 H168 Br8 Cu4 F48 N24 O32 Sb8 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.2371","0.1755","","","0.4966","0.5348","","","","","","1.976","","","","has coordinates,has disorder","225908","2020-10-21","18:00:00",""
"4515793","26.796","0.002","14.7426","0.0014","22.903","0.003","90","","114.796","0.0015","90","","8213.5","1.5","103","2","103","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Br2 Cu F6 N12 O15 P -","- C76 H92 Br2 Cu F6 N12 O15 P -","- C304 H368 Br8 Cu4 F24 N48 O60 P4 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.1944","0.0866","","","0.2333","0.2711","","","","","","0.935","","","","has coordinates,has disorder","225909","2020-10-21","18:00:00",""
"4515794","5.6607","0.0011","8.2437","0.0016","10.596","0.002","96.24","0.03","99.41","0.03","96.49","0.03","480.59","0.17","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","1","1","","Tong, Hua-Rong; Zheng, Sujuan; Li, Xinghua; Deng, Zhiqiang; Wang, Hao; He, Gang; Peng, Qian; Chen, Gong","Pd(0)-Catalyzed Bidentate Auxiliary Directed Enantioselective Benzylic C‒H Arylation of 3-Arylpropanamides Using the BINOL Phosphoramidite Ligand","ACS Catalysis","2018","8","12","11502","","10.1021/acscatal.8b03654","","","0.71073","MoKα","","0.0557","0.0352","","","0.0574","0.0612","","","","","","0.799","","","","has coordinates","225910","2020-10-21","18:00:00",""
"4515795","11.3157","0.0004","11.3157","0.0004","31.5787","0.0014","90","","90","","90","","4043.5","0.3","100","","99.97","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 N12 Ni2 -","- C40 H32 N12 Ni2 -","- C160 H128 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.02","0.0196","","","0.0534","0.0536","","","","","","1.047","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4515796","13.3888","0.0013","8.0065","0.0008","22.9811","0.0017","90","","95.656","0.003","90","","2451.5","0.4","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F N3 -","- C14 H14 F N3 -","- C112 H112 F8 N24 -","8","2","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0549","0.0464","","","0.1263","0.1331","","","","","","1.04","","","","has coordinates","225912","2020-10-21","18:00:00",""
"4515797","9.5253","0.0004","16.5175","0.0007","22.4483","0.001","90","","90","","90","","3531.9","0.3","99.97","","99.97","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H28 F4 N12 Ni2 -","- C40 H28 F4 N12 Ni2 -","- C160 H112 F16 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0701","0.0678","","","0.155","0.1558","","","","","","1.353","","","","has coordinates,has disorder","225913","2020-10-21","18:00:00",""
"4515798","11.1442","0.0012","12.9041","0.0013","13.9829","0.0014","101.643","0.004","97.123","0.004","109.481","0.004","1816.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(BINAP)CuSCF3","","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","1","0.5","","He, Jian; Chen, Caiyou; Fu, Gregory C.; Peters, Jonas C.","Visible-Light-Induced, Copper-Catalyzed Three-Component Coupling of Alkyl Halides, Olefins, and Trifluoromethylthiolate to Generate Trifluoromethyl Thioethers.","ACS catalysis","2018","8","12","11741","11748","10.1021/acscatal.8b04094","","","0.71073","MoKα","","0.0618","0.0405","","","0.1041","0.1151","","","","","","1.055","","","","has coordinates","225914","2020-10-21","18:00:00",""
"4515799","10.1167","0.0017","9.2912","0.0016","10.2864","0.0016","90","","105.881","0.005","90","","930","0.3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Fe S2 -","- C24 H18 Fe S2 -","- C48 H36 Fe2 S4 -","2","1","","Xu, Bing-Bin; Ye, Jie; Yuan, Yu; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric C‒H Arylation for the Synthesis of Planar Chiral Benzothiophene-Fused Ferrocenes","ACS Catalysis","2018","8","12","11735","","10.1021/acscatal.8b03912","","","0.71073","MoKα","","0.057","0.035","","","0.0615","0.0664","","","","","","1.013","","","","has coordinates","225915","2020-10-21","18:00:00",""
"4515800","17.8919","0.0006","12.6768","0.0004","19.8115","0.0007","90","","114.361","0.002","90","","4093.4","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Cl N4 Ni O P -","- C45 H51 Cl N4 Ni O P -","- C180 H204 Cl4 N16 Ni4 O4 P4 -","4","1","","Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan","Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C‒H/C‒O Activation","ACS Catalysis","2018","8","12","11368","","10.1021/acscatal.8b03436","","","0.71073","MoKα","","0.0877","0.0448","","","0.0729","0.0855","","","","","","1.048","","","","has coordinates","225917","2020-10-21","18:00:00",""
"4515801","9.8622","0.0009","17.5716","0.0013","19.3465","0.0016","90","","90","","90","","3352.6","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl2 N4 W -","- C34 H44 Cl2 N4 W -","- C136 H176 Cl8 N16 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0409","0.0297","","","0.0559","0.0595","","","","","","0.998","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515802","10.5486","0.0009","16.4202","0.0014","17.086","0.0013","90","","90","","90","","2959.5","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl2 N2 P W -","- C27 H43 Cl2 N2 P W -","- C108 H172 Cl8 N8 P4 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0393","0.0334","","","0.0711","0.0731","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515803","12.0005","0.0005","12.4893","0.0005","13.5857","0.0006","90","","90","","90","","2036.2","0.15","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F6 N2 O2 W -","- C16 H14 Cl2 F6 N2 O2 W -","- C64 H56 Cl8 F24 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.058","0.0486","","","0.129","0.1377","","","","","","1.062","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515804","32.8492","0.0013","32.8492","0.0013","20.7376","0.0009","90","","90","","120","","19379.3","1.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.4 H45 Cl2 N2 O2.2 W -","- C52 H44 Cl2 N2 O2 W -","- C936 H792 Cl36 N36 O36 W18 -","18","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0752","0.0414","","","0.0761","0.084","","","","","","0.965","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515805","12.5254","0.0006","27.3985","0.0015","9.0867","0.0005","90","","105.516","0.005","90","","3004.7","0.3","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F18 N2 O2 W -","- C22 H14 Cl2 F18 N2 O2 W -","- C88 H56 Cl8 F72 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0265","0.0228","","","0.0482","0.0493","","","","","","1.119","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515806","7.3379","0.0003","7.8387","0.0004","17.8616","0.0008","87.953","0.007","81.828","0.007","87.079","0.007","1015.22","0.08","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Cl2 F10 N2 O2 W -","- C16 H10 Cl2 F10 N2 O2 W -","- C32 H20 Cl4 F20 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0247","0.02","","","0.0451","0.0464","","","","","","1.036","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515807","13.4052","0.0006","9.8029","0.0006","18.7197","0.0009","90","","109.016","0.008","90","","2325.7","0.2","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 Cl2 N2 O2 W -","- C19 H34 Cl2 N2 O2 W -","- C76 H136 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0301","0.025","","","0.055","0.0574","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515808","9.8343","0.0006","9.9604","0.0006","13.7645","0.0008","70.528","0.008","85.509","0.008","71.846","0.008","1207.4","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl2 N2 O2 W -","- C20 H36 Cl2 N2 O2 W -","- C40 H72 Cl4 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0306","0.0266","","","0.0662","0.069","","","","","","1.042","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515809","9.0974","0.0005","12.8175","0.0008","14.1008","0.001","112.357","0.009","90.965","0.009","99.035","0.009","1496.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C55 H87.5 Cl5 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.03","0.0248","","","0.0576","0.0595","","","","","","1.046","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515810","12.1544","0.0012","10.4027","0.0011","24.447","0.002","90","","91.001","0.009","90","","3090.6","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl5 N2 O2 W -","- C28 H35 Cl5 N2 O2 W -","- C112 H140 Cl20 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0202","0.018","","","0.0387","0.0396","","","","","","1.052","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515811","8.8303","0.0005","11.5526","0.0006","12.8453","0.0007","77.061","0.006","85.454","0.006","74.916","0.006","1232.81","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl2 F3 N2 O2 W -","- C22 H29 Cl2 F3 N2 O2 W -","- C44 H58 Cl4 F6 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0295","0.0229","","","0.0468","0.0487","","","","","","1.017","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515812","16.4344","0.0006","10.2454","0.0003","17.7291","0.0007","90","","90","","90","","2985.17","0.18","120","2","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H32 Cl4 N4 O6 W -","- C23 H32 Cl4 N4 O6 W -","- C92 H128 Cl16 N16 O24 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","K-L~3~","0.0332","0.0266","","","0.0578","0.0607","","","","","","1.05","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515813","16.2309","0.0009","10.3469","0.0007","22.3012","0.0013","90","","103.618","0.011","90","","3640","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 N2 O2 W -","- C40 H44 Cl2 N2 O2 W -","- C160 H176 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.028","","","0.0533","0.0582","","","","","","0.936","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515814","8.535","0.003","10.595","0.004","11.444","0.004","79.5","0.006","87.548","0.007","81.464","0.007","1006.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1168","0.0651","","","0.1855","0.2245","","","","","","0.8733","","","","has coordinates","225919","2020-10-21","18:00:00",""
"4515815","9.737","0.004","10.551","0.004","11.09","0.004","68.032","0.007","80.699","0.007","75.858","0.008","1021.5","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1313","0.0715","","","0.1845","0.2193","","","","","","1.027","","","","has coordinates","225920","2020-10-21","18:00:00",""
"4515816","8.9557","0.0014","9.9317","0.0015","13.533","0.003","90","","104.289","0.002","90","","1166.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C54 H66 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.059","0.0523","","","0.146","0.1537","","","","","","1.106","","","","has coordinates","225921","2020-10-21","18:00:00",""
"4515817","15.878","0.002","10.9673","0.0015","16.462","0.002","90","","90.174","0.002","90","","2866.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O3 Os P2 -","- C28 H44 O3 Os P2 -","- C112 H176 O12 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism","ACS Catalysis","2018","8","12","11314","","10.1021/acscatal.8b02370","","","0.71073","MoKα","","0.0744","0.0363","","","0.0832","0.1004","","","","","","1.06","","","","has coordinates,has disorder","225922","2020-10-21","18:00:00",""
"4515818","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","225923","2020-10-21","18:00:00",""
"4515819","11.4924","0.0008","18.4018","0.0013","20.7858","0.0015","90","","90","","90","","4395.8","0.5","133","2","133","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F3 Fe N2 O6 P Pd S -","- C47 H44 F3 Fe N2 O6 P Pd S -","- C188 H176 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0381","0.0328","","","0.0748","0.0776","","","","","","1.013","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4515820","11.5846","0.0011","16.3753","0.0015","25.133","0.002","90","","90","","90","","4767.8","0.7","293","2","293","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C192 H180 Cl12 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0807","0.0627","","","0.1439","0.1529","","","","","","0.978","","","","has coordinates","225925","2020-10-21","18:00:00",""
"4515821","14.2235","0.001","16.3932","0.0011","19.5487","0.0014","90","","98.023","0.001","90","","4513.5","0.5","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Fe Ni O P2 -","- C53 H61 Fe Ni O P2 -","- C212 H244 Fe4 Ni4 O4 P8 -","4","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54178","CuKα","","0.0304","0.0255","","","0.0673","0.0689","","","","","","1.059","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515822","23.2567","0.0004","16.9768","0.0002","21.0881","0.0005","90","","106.649","0.002","90","","7977","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 Fe Ni P2 -","- C43 H39 Fe Ni P2 -","- C344 H312 Fe8 Ni8 P16 -","8","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54184","CuKα","","0.0404","0.0348","","","0.0909","0.0951","","","","","","1.035","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515823","14.0344","0.0009","13.358","0.0009","23.5713","0.0019","90","","95.985","0.007","90","","4394.9","0.5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 Fe Ni P2 -","- C56 H53 Fe Ni P2 -","- C224 H212 Fe4 Ni4 P8 -","4","0.5","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.0778","0.0475","","","0.1098","0.1246","","","","","","1.026","","","","has coordinates,has disorder","225926","2020-10-21","18:00:00",""
"4515824","10.4283","0.0005","13.6108","0.0006","19.5796","0.001","77.34","0.004","81.336","0.004","88.445","0.004","2680.5","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H67 Br Fe Ni P2 -","- C63 H67 Br Fe Ni P2 -","- C126 H134 Br2 Fe2 Ni2 P4 -","2","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.1116","0.0828","","","0.2071","0.2321","","","","","","1.019","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515825","17.4154","0.0014","17.0027","0.0015","9.3236","0.0008","90","","90","","90","","2760.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H24 N6 O4 Ru -","- C31 H24 N6 O4 Ru -","- C124 H96 N24 O16 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0344","0.0266","","","0.058","0.0607","","","","","","1.035","","","","has coordinates","225927","2020-10-21","18:00:00",""
"4515826","11.7638","0.0009","16.7628","0.0011","15.8332","0.0011","90","","107.656","0.002","90","","2975.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H28 N5 O6.5 Ru -","- C28.5 H28 N5 O6.5 Ru -","- C114 H112 N20 O26 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.71073","MoKα","","0.1135","0.0632","","","0.1475","0.1761","","","","","","1.018","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515827","17.9909","0.0003","22.189","0.0004","15.3463","0.0002","90","","90","","90","","6126.24","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55 H48 Ce N15 O26 Ru2 -","- C55 H48 Ce N15 O26 Ru2 -","- C220 H192 Ce4 N60 O104 Ru8 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0388","0.0345","","","0.0888","0.0907","","","","","","1.141","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515828","22.2892","0.0009","22.2235","0.0008","15.7911","0.0007","90","","101.936","0.001","90","","7652.9","0.5","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222 -","- C2.77778 H2.33333 Cu0.111111 N0.444444 O0.777778 S0.222222 -","- C200 H168 Cu8 N32 O56 S16 -","72","9","","Zhang, Guiyang; Yang, Huimin; Fei, Honghan","Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions","ACS Catalysis","2018","8","3","2519","","10.1021/acscatal.7b04189","","","0.71073","","","0.0869","0.0746","","","","0.2079","","","","","","1.0744","","","","has coordinates","225928","2020-10-21","18:00:00",""