Crystallography Open Database
Search results
Result: there are 2395 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'ACS catalysis'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4501447 | CIF | C39 H42 Cl4 N2 O2 Ti | P 1 21/c 1 | 16.8818; 10.7967; 20.6102 90; 99.5901; 90 | 3704.08 | Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation ACS Catalysis, 2011, 1, 254 |
| 4501448 | CIF | C47 H59 Cl2 N2 O2 Ti | P 1 21/a 1 | 15.976; 25.591; 10.943 90; 102.3; 90 | 4371 | Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation ACS Catalysis, 2011, 1, 254 |
| 4501449 | CIF | C20 H19 Br N4 O5 | P 1 21 1 | 7.8416; 13.964; 9.5724 90; 106.198; 90 | 1006.6 | Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions ACS Catalysis, 2011, 1, 221 |
| 4501450 | CIF | C22 H32 B N3 O3 Zn | P 1 21/c 1 | 10.8363; 13.4156; 16.1656 90; 96.788; 90 | 2333.61 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
| 4501451 | CIF | C31 H42 B N3 O4.5 Zn | P 1 21/c 1 | 21.569; 9.896; 15.813 90; 106.292; 90 | 3240 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
| 4501452 | CIF | C17 H20 O2 Si | P -1 | 7.821; 8.589; 13.088 84.193; 86.915; 63.19 | 780.6 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
| 4501453 | CIF | C13 H20 O2 Si | P 1 21/c 1 | 7.7423; 12.8158; 13.6032 90; 97.565; 90 | 1338.01 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
| 4501454 | CIF | C53.33 H52 Co F6 N4 O6.67 S2.67 Sb | P -1 | 15.694; 16.579; 17.451 87.054; 88.06; 62.315 | 4015.2 | Venkatasubbaiah, Krishnan; Zhu, Xunjin; Kays, Elizabeth; Hardcastle, Kenneth I.; Jones, Christopher W. Co(III)-Porphyrin-Mediated Highly Regioselective Ring-Opening of Terminal Epoxides with Alcohols and Phenols ACS Catalysis, 2011, 489 |
| 4501455 | CIF | C41 H55 Hf N5 S | P 1 21/c 1 | 17.633; 10.0494; 22.504 90; 97.714; 90 | 3951.6 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
| 4501456 | CIF | C38 H46 Hf N2 S | P -1 | 11.2458; 13.4734; 13.5863 67.489; 81.795; 88.766 | 1881 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
| 4501457 | CIF | C35 H46 Hf N4 O S | P 1 21/c 1 | 14.4153; 14.2346; 16.653 90; 98.959; 90 | 3375.4 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
| 4501458 | CIF | C48 H72 Hf N6 O | P 1 21/n 1 | 21.626; 19.173; 25.68 90; 108.965; 90 | 10070 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
| 4501459 | CIF | C33 H49 Cl N O P Ru | P -1 | 8.972; 9.6985; 18.4616 100.458; 94.892; 90.021 | 1573.79 | Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica ACS Catalysis, 2011, 1, 872 |
| 4501460 | CIF | C43 H50 Cl N3 O Ru | P 1 21/c 1 | 16.7458; 16.9502; 14.9589 90; 109.887; 90 | 3992.8 | Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica ACS Catalysis, 2011, 1, 872 |
| 4501461 | CIF | C18 H36 F5 N4 O4 Zn | P -1 | 7.944; 8.854; 16.032 79.805; 81.63; 80.763 | 1087.4 | Maegawa, Yusuke; Ohshima, Takashi; Hayashi, Yukiko; Agura, Kazushi; Iwasaki, Takanori; Mashima, Kazushi Additive Effect ofN-Heteroaromatics on Transesterification Catalyzed by Tetranuclear Zinc Cluster ACS Catalysis, 2011, 1, 1178 |
| 4501462 | CIF | C42 H78 N2 O8 Pd Si2 | P 1 21/n 1 | 13.76; 24.958; 14.913 90; 101.799; 90 | 5013 | Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II) ACS Catalysis, 2011, 1, 1166 |
| 4501463 | CIF | C31 H54 N2 O4 Pd Si | C 1 2/c 1 | 33.989; 9.3744; 28.483 90; 121.11; 90 | 7770.2 | Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II) ACS Catalysis, 2011, 1, 1166 |
| 4501464 | CIF | C16 H30 F6 Fe N4 O6 S2 | F d d 2 | 8.8289; 32.679; 16.3726 90; 90; 90 | 4723.8 | Feng, Yan; England, Jason; Que, Lawrence Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites ACS Catalysis, 2011, 1, 1035 |
| 4501465 | CIF | C20 H23 Cl4 N3 Ni O2 | P -1 | 7.7306; 10.879; 13.935 87.26; 78.61; 82.14 | 1137.8 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
| 4501466 | CIF | C21 H25 Cl2 N3 Ni O2 | P 1 21/n 1 | 9.1206; 28.489; 9.4194 90; 116.45; 90 | 2191.3 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
| 4501467 | CIF | C21 H25 Cl2 N3 Ni O2 | P -1 | 8.4918; 11.126; 14.794 107.41; 103.11; 96.34 | 1274.8 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
| 4501468 | CIF | C20 H23 Cl3 N3 Ni0.5 O2 | P -1 | 9.1269; 10.212; 12.557 112.06; 96.8; 98.4 | 1053.7 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
| 4505631 | CIF | C48 H56 Br4 N4 Ni2 | P 1 21/n 1 | 14.0495; 9.9391; 17.681 90; 110.777; 90 | 2308.4 | Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization ACS Catalysis, 2012, 2, 433 |
| 4505632 | CIF | C27 H35 Br2 Cl4 N2 Ni O | P 1 21/c 1 | 18.146; 12.048; 18.386 90; 119.14; 90 | 3510.9 | Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization ACS Catalysis, 2012, 2, 433 |
| 4505633 | CIF | C38 H52 Br2 N4 Ni | P 1 21/c 1 | 11.7518; 10.9119; 18.5929 90; 128.486; 90 | 1866.3 | Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization ACS Catalysis, 2012, 2, 433 |
| 4505634 | CIF | C18 H20 I N O5 S | P 1 21/n 1 | 9.806; 12.76; 15.657 90; 102.62; 90 | 1911.7 | Guilbault, Audrey-Anne; Legault, Claude Y. Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist ACS Catalysis, 2012, 2, 219 |
| 4505635 | CIF | C19 H22 I N O5 S | P 1 21/c 1 | 7.172; 7.921; 33.699 90; 93.67; 90 | 1910.5 | Guilbault, Audrey-Anne; Legault, Claude Y. Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist ACS Catalysis, 2012, 2, 219 |
| 4506119 | CIF | C50 H58 Cl4 O6 P2 Pd2 S2 | C 1 2/c 1 | 20.009; 13.184; 19.278 90; 95.989; 90 | 5058 | Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F. Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group ACS Catalysis, 2012, 2, 1187 |
| 4506120 | CIF | C72 H102 O6 P2 Pd2 S2 | P 1 21/c 1 | 17.934; 10.371; 25.392 90; 131.536; 90 | 3535.2 | Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F. Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group ACS Catalysis, 2012, 2, 1187 |
| 4506121 | CIF | C58 H61 B F15 O4 P Pd S | C 1 2/c 1 | 36.529; 13.21; 24.939 90; 100.456; 90 | 11834 | Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F. Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group ACS Catalysis, 2012, 2, 1187 |
| 4506122 | CIF | C56 H48 Cl12 N4 O18 Rh2 | I 2 3 | 37.1893; 37.1893; 37.1893 90; 90; 90 | 51434.4 | Lindsay, Vincent N. G.; Charette, André B. Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation ACS Catalysis, 2012, 2, 1221 |
| 4506582 | CIF | C21 H27 N O3 Si | P 1 21 1 | 11.7148; 6.9828; 13.444 90; 114.935; 90 | 997.24 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
| 4506583 | CIF | C23 H32 F3 N O4 S Si | P 21 21 21 | 8.52; 8.5557; 33.4637 90; 90; 90 | 2439.32 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
| 4506584 | CIF | C27 H39 N O3 Si | P 21 21 21 | 12.6433; 13.8501; 14.684 90; 90; 90 | 2571.33 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
| 4506585 | CIF | C16 H20 Cl N O Si | P 21 21 21 | 7.5343; 8.5707; 25.2748 90; 90; 90 | 1632.1 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
| 4506586 | CIF | C11 H8 Br N3 O3 | P 1 21 1 | 9.4259; 5.1093; 12.799 90; 110.279; 90 | 578.19 | Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes ACS Catalysis, 2012, 2, 1535 |
| 4506587 | CIF | C62 H70 Fe2 N16 O2 | C 1 2/c 1 | 31.222; 17.025; 23.69 90; 101.133; 90 | 12356 | Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J. High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes ACS Catalysis, 2012, 2, 1760 |
| 4506588 | CIF | C29 H29 Fe N9 | P 1 21/c 1 | 15.7139; 10.318; 17.0218 90; 98.758; 90 | 2727.7 | Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J. High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes ACS Catalysis, 2012, 2, 1760 |
| 4507135 | CIF | C39 H21 Ag3 F18 N6 | P -1 | 9.7393; 13.5428; 16.9533 94.039; 104.186; 109.322 | 2017.54 | Flores, Jaime A.; Komine, Nobuyuki; Pal, Kuntal; Pinter, Balazs; Pink, Maren; Chen, Chun-Hsing; Caulton, Kenneth G.; Mindiola, Daniel J. Silver(I)-Catalyzed Insertion of Carbene into Alkane C‒H Bonds and the Origin of the Special Challenge of Methane Activation Using DFT as a Mechanistic Probe ACS Catalysis, 2012, 2, 2066 |
| 4507136 | CIF | C31 H31 Cl3 Cr N4 P | P b c a | 11.2332; 16.7375; 33.095 90; 90; 90 | 6222.4 | Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J. Selective Ethylene Tri-/Tetramerization Catalysts ACS Catalysis, 2012, 2, 2452 |
| 4507137 | CIF | C23 H26 Cl3 Cr N3 P | P n a 21 | 11.5487; 14.419; 15.38 90; 90; 90 | 2561.1 | Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J. Selective Ethylene Tri-/Tetramerization Catalysts ACS Catalysis, 2012, 2, 2452 |
| 4507138 | CIF | C33 H40 Cl3 F3 N2 O3 Ru S | P -1 | 10.788; 12.131; 16.206 89.72; 71.49; 64.83 | 1799.1 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
| 4507139 | CIF | C35 H44 Cl3 F3 N2 O3 Ru S | P 1 21/c 1 | 13.3963; 12.4531; 23.0725 90; 106.164; 90 | 3696.92 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
| 4507140 | CIF | C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91 | P -1 | 13.411; 14.9649; 18.0317 98.982; 96.074; 108.632 | 3340 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
| 4507141 | CIF | C28 H34 N2 Ru | P 1 21 1 | 7.7447; 12.5622; 12.1814 90; 94.917; 90 | 1180.77 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
| 4507142 | CIF | C51 H48 B F25 N P2 Rh | P 1 21/c 1 | 17.2281; 17.5318; 18.888 90; 104.533; 90 | 5522.39 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
| 4507143 | CIF | C53 H51 B F24 N O P2 Rh S | P -1 | 12.2384; 15.4948; 17.5543 103.603; 109.864; 98.834 | 2942.02 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
| 4507144 | CIF | C57 H52 B F26 P2 Rh | P 43 | 13.1403; 13.1403; 34.4622 90; 90; 90 | 5950.5 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
| 4507145 | CIF | C52 H49 B F25 P2 Rh | P 1 21/c 1 | 17.7994; 17.3901; 19.0524 90; 109.328; 90 | 5564.97 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
| 4507146 | CIF | C59 H56 B F26 P2 Rh | P -1 | 12.6572; 13.247; 19.6804 104.275; 106.494; 91.3854 | 3050.53 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
| 4507147 | CIF | C63 H64 B F25 N P2 Rh | P 1 21/c 1 | 13.8162; 18.0951; 26.4511 90; 92.0377; 90 | 6608.74 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
| 4507148 | CIF | C39 H51 Cu N2 O | P 1 21/n 1 | 12.747; 14.427; 19.799 90; 96.74; 90 | 3615.9 | Pouy, Mark J.; Delp, Samuel A.; Uddin, Jamal; Ramdeen, Vijay M.; Cochrane, Nikki A.; Fortman, George C.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H. Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported byN-Heterocyclic Carbene Ligands ACS Catalysis, 2012, 2, 2182 |
| 4507149 | CIF | C19 H18 Co O4 P | P n a 21 | 14.5719; 17.2445; 7.3877 90; 90; 90 | 1856.4 | Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis, 2012, 2, 2512 |
| 4507150 | CIF | C16 H25 Co O3 P | P -1 | 9.0646; 9.2649; 11.4599 94.012; 108.645; 109.326 | 843.74 | Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis, 2012, 2, 2512 |
| 4507151 | CIF | C32 H50 Co2 O6 P2 | P 1 21/n 1 | 12.6461; 9.7325; 14.7834 90; 110.949; 90 | 1699.24 | Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis, 2012, 2, 2512 |
| 4507431 | CIF | C192 H144 Cu4 N28 O12 | A b a 2 | 26.531; 29.2825; 21.2848 90; 90; 90 | 16536 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
| 4507432 | CIF | C100 H80 Cu4 N20 O22 | P -1 | 13.373; 13.767; 14.926 104.973; 103.729; 109.545 | 2338.2 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
| 4507433 | CIF | C46 H50 Cl2 F5 N3 O3 Ru | P 1 21/n 1 | 24.2414; 12.5158; 30.0577 90; 106.816; 90 | 8729.6 | Nelson, David J.; Queval, Pierre; Rouen, Mathieu; Magrez, Magaly; Toupet, Loïc; Caijo, Frédéric; Borré, Etienne; Laurent, Isabelle; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc; Percy, Jonathan M. Synergic Effects Between N-Heterocyclic Carbene and Chelating Benzylidene‒Ether Ligands Toward the Initiation Step of Hoveyda‒Grubbs Type Ru Complexes ACS Catalysis, 2013, 3, 259-264 |
| 4507438 | CIF | C14 H8 Br Fe2 N O6 S2 | P -1 | 7.6922; 10.824; 11.227 74.383; 86.307; 80.513 | 887.7 | Dey, Subal; Rana, Atanu; Dey, Somdatta Ghosh; Dey, Abhishek Electrochemical Hydrogen Production in Acidic Water by an Azadithiolate Bridged Synthetic Hydrogenese Mimic: Role of Aqueous Solvation in Lowering Overpotential ACS Catalysis, 2013, 3, 429 |
| 4507767 | CIF | C20 H18 N2 O3 | P 1 21/n 1 | 10.5224; 8.7192; 20.0164 90; 102.322; 90 | 1794.1 | Zhang, Xiao-Nan; Shi, Min Phosphine-Catalyzed [3 + 2] Cycloaddition of 4,4-Dicyano-2-methylenebut-3-enoates with Benzyl Buta-2,3-dienoate and Penta-3,4-dien-2-one ACS Catalysis, 2013, 3, 507 |
| 4507768 | CIF | C11 H13 F3 N2 O7 | P 21 21 21 | 6.0338; 7.3229; 32.512 90; 90; 90 | 1436.5 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507769 | CIF | C10 H11 F3 O4 | P 1 21 1 | 5.2612; 8.0356; 26.8522 90; 90.009; 90 | 1135.23 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507770 | CIF | C7 H10 F3 N O3 | P 43 21 2 | 7.0694; 7.0694; 35.24 90; 90; 90 | 1761.2 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507771 | CIF | C8 H12 F3 N O3 | P 21 21 21 | 6.4729; 7.3947; 21.763 90; 90; 90 | 1041.7 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507772 | CIF | C12 H12 F3 N O3 S | P 1 | 5.1139; 6.3453; 11.289 82.575; 79.056; 68.124 | 333.07 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
| 4507773 | CIF | C19 H19 Cl2 N O2 S | P -1 | 7.077; 7.792; 17.241 83.163; 83.039; 75.993 | 911.7 | Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis, 2013, 3, 663 |
| 4507774 | CIF | C16 H22 Cl N O2 S | P b c a | 14.8823; 15.0709; 15.0819 90; 90; 90 | 3382.7 | Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis, 2013, 3, 663 |
| 4507775 | CIF | C22 H18 Br N O4 S | P 21 21 21 | 8.6638; 10.6945; 21.769 90; 90; 90 | 2017 | Jia, Min-Qiang; You, Shu-Li N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde‒Ketone Benzoin Reactions ACS Catalysis, 2013, 3, 622 |
| 4507776 | CIF | C13 H15 N O2 | P -1 | 6.5346; 8.803; 10.4461 85.089; 75.857; 68.462 | 542 | Baronsky, Thilo; Beattie, Christopher; Harrington, Ross W.; Irfan, Reyhan; North, Michael; Osende, Javier G.; Young, Carl Bimetallic Aluminum(salen) Catalyzed Synthesis of Oxazolidinones from Epoxides and Isocyanates ACS Catalysis, 2013, 3, 790 |
| 4507881 | CIF | C60 H52 Cl2 F12 N10 O4 P2 Ru2 | C 1 2/c 1 | 19.5432; 27.2305; 23.3159 90; 99.748; 90 | 12228.9 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
| 4507882 | CIF | C30 H27 Cl F6 N4 O2 P Ru | P 1 21/n 1 | 11.4748; 22.961; 11.4873 90; 95.161; 90 | 3014.3 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
| 4507883 | CIF | C29 H34 Cl F9 N5 P Ru | P 1 21/n 1 | 8.6237; 30.965; 11.965 90; 109.38; 90 | 3014 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
| 4508109 | CIF | C25 H20 Br N6 O4 Re | P 1 21/n 1 | 11.6786; 19.4125; 11.7398 90; 104.932; 90 | 2571.7 | Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties ACS Catalysis, 2013, 3, 1685 |
| 4508110 | CIF | C44 H72 O4 S2 V | P 1 21/c 1 | 14.843; 16.907; 17.478 90; 93.767; 90 | 4376.6 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
| 4508111 | CIF | C56 H70 Cl3 Nb O2 S2 | P 1 21/c 1 | 17.747; 15.722; 19.957 90; 103.391; 90 | 5417 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
| 4508112 | CIF | C44 H64 Cl3 O2 S2 Ta | P 1 21 1 | 14.0634; 11.496; 14.0371 90; 101.661; 90 | 2222.6 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
| 4508355 | CIF | C44 H70 Cl5 Co N4 O2 | C 1 2/c 1 | 39.868; 11.8049; 19.788 90; 93.947; 90 | 9290.9 | Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V. Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions ACS Catalysis, 2013, 1951 |
| 4508356 | CIF | C25 H25 Cl1.25 Co1.25 N5 O2.5 | P 21 21 21 | 34.074; 10.4676; 13.8502 90; 90; 90 | 4940 | Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V. Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions ACS Catalysis, 2013, 1951 |
| 4508362 | CIF | C18 H28 Cl2 F6 Ir N2 O2 P | P 1 21/c 1 | 12.129; 11.4374; 17.545 90; 95.165; 90 | 2424 | Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A. Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes ACS Catalysis, 2013, 3, 2304 |
| 4508363 | CIF | C32 H50 F6 Ir2 N4 O7 S2 | P -1 | 10.982; 13.584; 15.035 95.693; 108.315; 110.76 | 1934.2 | Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A. Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes ACS Catalysis, 2013, 3, 2304 |
| 4508364 | CIF | C49 H45 Cl3 Mo N4 O2 P2 Zn | P 1 21/c 1 | 20.0576; 14.3652; 17.229 90; 95.415; 90 | 4942.06 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
| 4508365 | CIF | C153 H110 B2 F48 Mo2 N8 O4 P4 | P -1 | 12.4979; 15.4233; 19.774 88.382; 81.163; 87.527 | 3761.96 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
| 4508366 | CIF | C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 | P -1 | 16.0776; 17.0716; 18.0135 105.257; 115.011; 98.938 | 4116.7 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
| 4508367 | CIF | C45 H36 Cl Mo N O4 P2 | P 1 21/c 1 | 11.5883; 13.8586; 24.9475 90; 101.155; 90 | 3930.82 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
| 4508368 | CIF | C82 H84 Cl2 Mo2 N2 O5 P6 | P 1 21/n 1 | 10.2639; 21.2569; 18.332 90; 105.192; 90 | 3859.88 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
| 4508369 | CIF | C54 H43 Cl Mo N O2 P3 | P 1 21/n 1 | 19.3956; 12.6738; 20.4746 90; 114.639; 90 | 4574.74 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
| 4508370 | CIF | C23 H39 Ir O3 P2 | P -1 | 8.288; 11.99; 13.424 100.742; 95.96; 103.708 | 1257.9 | Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes ACS Catalysis, 2013, 3, 2391 |
| 4508371 | CIF | C55 H52 B F24 Ir O3 P2 | C 1 2/c 1 | 16.707; 18.088; 39.933 90; 96.48; 90 | 11991 | Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes ACS Catalysis, 2013, 3, 2391 |
| 4508372 | CIF | C36 H47 N3 Zn | P 1 21/n 1 | 12.4548; 12.8516; 20.4735 90; 93.992; 90 | 3269.12 | Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I. Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles ACS Catalysis, 2013, 3, 2336 |
| 4508373 | CIF | C24 H40 N2 O3 P Ru | C 1 2/c 1 | 32.0382; 11.1091; 16.1622 90; 118.402; 90 | 5060 | Huff, Chelsea A.; Sanford, Melanie S. Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex ACS Catalysis, 2013, 3, 2412 |
| 4508374 | CIF | C34 H30 Cr O4 P2 | P b c a | 18.625; 20.786; 32.239 90; 90; 90 | 12481 | Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands ACS Catalysis, 2013, 3, 2311 |
| 4508375 | CIF | C16 H27 Ir O5 S | P b c a | 9.218; 16.424; 24.589 90; 90; 90 | 3722.7 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
| 4508376 | CIF | C16 H21 F6 Ir O5 S | P 21 21 21 | 9.08; 14.954; 15.588 90; 90; 90 | 2116.6 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
| 4508377 | CIF | C19 H24 Ir N O5 S | P 1 21/c 1 | 8.2462; 14.311; 16.825 90; 103.277; 90 | 1932.5 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
| 4508378 | CIF | C19 H24 Cl Ir O3 S | P 1 21/c 1 | 19.779; 8.4715; 30.216 90; 128.931; 90 | 3938.5 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
| 4508379 | CIF | C44 H36 Cu4 F12 N8 O16 S4 | P 1 21/c 1 | 25.452; 13.8983; 15.856 90; 104.624; 90 | 5427.2 | Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S. Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems ACS Catalysis, 2013, 3, 2599 |
| 4508380 | CIF | C32 H28 N2 O5 | P -1 | 9.231; 10.439; 15.222 92.356; 94.503; 113.508 | 1336.7 | Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines ACS Catalysis, 2013, 3, 2501 |
| 4508381 | CIF | C31 H24 N3 O5.5 | C 1 2/c 1 | 15.715; 22.582; 16.682 90; 102.4; 90 | 5781.9 | Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines ACS Catalysis, 2013, 3, 2501 |
| 4508603 | CIF | C15 H10 Cl N O2 | P 1 21/n 1 | 3.9967; 25.9143; 12.3646 90; 95.947; 90 | 1273.73 | Han, Runfeng; Qi, Jing; Gu, Jixiang; Ma, Donghui; Xie, Xingang; She, Xuegong N-Heterocyclic Carbene-Catalyzed Formal [3+2] Annulation of Alkynyl Aldehydes with Nitrosobenzenes: A Highly Regioselective Umpolung Strategy ACS Catalysis, 2013, 3, 2705 |
| 4508604 | CIF | C70 H102 N4 O2 Rh2 | P -1 | 11.021; 11.519; 14.052 68.604; 73.514; 74.287 | 1564.5 | Palacios, Laura; Artigas, Maria Jose; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Hydroxo‒Rhodium‒N-Heterocyclic Carbene Complexes as Efficient Catalyst Precursors for Alkyne Hydrothiolation ACS Catalysis, 2013, 3, 2910 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!