Crystallography Open Database

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4501447 CIFC39 H42 Cl4 N2 O2 TiP 1 21/c 116.8818; 10.7967; 20.6102
90; 99.5901; 90		3704.08Terao, 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 CIFC47 H59 Cl2 N2 O2 TiP 1 21/a 115.976; 25.591; 10.943
90; 102.3; 90		4371Terao, 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 CIFC20 H19 Br N4 O5P 1 21 17.8416; 13.964; 9.5724
90; 106.198; 90		1006.6Hua, 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 CIFC22 H32 B N3 O3 ZnP 1 21/c 110.8363; 13.4156; 16.1656
90; 96.788; 90		2333.61Mukherjee, 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 CIFC31 H42 B N3 O4.5 ZnP 1 21/c 121.569; 9.896; 15.813
90; 106.292; 90		3240Mukherjee, 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 CIFC17 H20 O2 SiP -17.821; 8.589; 13.088
84.193; 86.915; 63.19		780.6Mukherjee, 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 CIFC13 H20 O2 SiP 1 21/c 17.7423; 12.8158; 13.6032
90; 97.565; 90		1338.01Mukherjee, 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 CIFC53.33 H52 Co F6 N4 O6.67 S2.67 SbP -115.694; 16.579; 17.451
87.054; 88.06; 62.315		4015.2Venkatasubbaiah, 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 CIFC41 H55 Hf N5 SP 1 21/c 117.633; 10.0494; 22.504
90; 97.714; 90		3951.6Diamond, 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 CIFC38 H46 Hf N2 SP -111.2458; 13.4734; 13.5863
67.489; 81.795; 88.766		1881Diamond, 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 CIFC35 H46 Hf N4 O SP 1 21/c 114.4153; 14.2346; 16.653
90; 98.959; 90		3375.4Diamond, 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 CIFC48 H72 Hf N6 OP 1 21/n 121.626; 19.173; 25.68
90; 108.965; 90		10070Diamond, 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 CIFC33 H49 Cl N O P RuP -18.972; 9.6985; 18.4616
100.458; 94.892; 90.021		1573.79Schachner, 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 CIFC43 H50 Cl N3 O RuP 1 21/c 116.7458; 16.9502; 14.9589
90; 109.887; 90		3992.8Schachner, 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 CIFC18 H36 F5 N4 O4 ZnP -17.944; 8.854; 16.032
79.805; 81.63; 80.763		1087.4Maegawa, 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 CIFC42 H78 N2 O8 Pd Si2P 1 21/n 113.76; 24.958; 14.913
90; 101.799; 90		5013Choi, 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 CIFC31 H54 N2 O4 Pd SiC 1 2/c 133.989; 9.3744; 28.483
90; 121.11; 90		7770.2Choi, 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 CIFC16 H30 F6 Fe N4 O6 S2F d d 28.8289; 32.679; 16.3726
90; 90; 90		4723.8Feng, 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 CIFC20 H23 Cl4 N3 Ni O2P -17.7306; 10.879; 13.935
87.26; 78.61; 82.14		1137.8Zhang, 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 CIFC21 H25 Cl2 N3 Ni O2P 1 21/n 19.1206; 28.489; 9.4194
90; 116.45; 90		2191.3Zhang, 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 CIFC21 H25 Cl2 N3 Ni O2P -18.4918; 11.126; 14.794
107.41; 103.11; 96.34		1274.8Zhang, 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 CIFC20 H23 Cl3 N3 Ni0.5 O2P -19.1269; 10.212; 12.557
112.06; 96.8; 98.4		1053.7Zhang, 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 CIFC48 H56 Br4 N4 Ni2P 1 21/n 114.0495; 9.9391; 17.681
90; 110.777; 90		2308.4Zai, 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 CIFC27 H35 Br2 Cl4 N2 Ni OP 1 21/c 118.146; 12.048; 18.386
90; 119.14; 90		3510.9Zai, 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 CIFC38 H52 Br2 N4 NiP 1 21/c 111.7518; 10.9119; 18.5929
90; 128.486; 90		1866.3Zai, 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 CIFC18 H20 I N O5 SP 1 21/n 19.806; 12.76; 15.657
90; 102.62; 90		1911.7Guilbault, 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 CIFC19 H22 I N O5 SP 1 21/c 17.172; 7.921; 33.699
90; 93.67; 90		1910.5Guilbault, 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 CIFC50 H58 Cl4 O6 P2 Pd2 S2C 1 2/c 120.009; 13.184; 19.278
90; 95.989; 90		5058Cai, 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 CIFC72 H102 O6 P2 Pd2 S2P 1 21/c 117.934; 10.371; 25.392
90; 131.536; 90		3535.2Cai, 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 CIFC58 H61 B F15 O4 P Pd SC 1 2/c 136.529; 13.21; 24.939
90; 100.456; 90		11834Cai, 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 CIFC56 H48 Cl12 N4 O18 Rh2I 2 337.1893; 37.1893; 37.1893
90; 90; 90		51434.4Lindsay, 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 CIFC21 H27 N O3 SiP 1 21 111.7148; 6.9828; 13.444
90; 114.935; 90		997.24Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.
Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst
ACS Catalysis, 2012, 2, 1661
4506583 CIFC23 H32 F3 N O4 S SiP 21 21 218.52; 8.5557; 33.4637
90; 90; 90		2439.32Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.
Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst
ACS Catalysis, 2012, 2, 1661
4506584 CIFC27 H39 N O3 SiP 21 21 2112.6433; 13.8501; 14.684
90; 90; 90		2571.33Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.
Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst
ACS Catalysis, 2012, 2, 1661
4506585 CIFC16 H20 Cl N O SiP 21 21 217.5343; 8.5707; 25.2748
90; 90; 90		1632.1Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.
Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst
ACS Catalysis, 2012, 2, 1661
4506586 CIFC11 H8 Br N3 O3P 1 21 19.4259; 5.1093; 12.799
90; 110.279; 90		578.19Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian
Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes
ACS Catalysis, 2012, 2, 1535
4506587 CIFC62 H70 Fe2 N16 O2C 1 2/c 131.222; 17.025; 23.69
90; 101.133; 90		12356Yu, 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 CIFC29 H29 Fe N9P 1 21/c 115.7139; 10.318; 17.0218
90; 98.758; 90		2727.7Yu, 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 CIFC39 H21 Ag3 F18 N6P -19.7393; 13.5428; 16.9533
94.039; 104.186; 109.322		2017.54Flores, 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 CIFC31 H31 Cl3 Cr N4 PP b c a11.2332; 16.7375; 33.095
90; 90; 90		6222.4Sydora, 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 CIFC23 H26 Cl3 Cr N3 PP n a 2111.5487; 14.419; 15.38
90; 90; 90		2561.1Sydora, 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 CIFC33 H40 Cl3 F3 N2 O3 Ru SP -110.788; 12.131; 16.206
89.72; 71.49; 64.83		1799.1Schreiber, 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 CIFC35 H44 Cl3 F3 N2 O3 Ru SP 1 21/c 113.3963; 12.4531; 23.0725
90; 106.164; 90		3696.92Schreiber, 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 CIFC29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91P -113.411; 14.9649; 18.0317
98.982; 96.074; 108.632		3340Schreiber, 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 CIFC28 H34 N2 RuP 1 21 17.7447; 12.5622; 12.1814
90; 94.917; 90		1180.77Schreiber, 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 CIFC51 H48 B F25 N P2 RhP 1 21/c 117.2281; 17.5318; 18.888
90; 104.533; 90		5522.39Pernik, 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 CIFC53 H51 B F24 N O P2 Rh SP -112.2384; 15.4948; 17.5543
103.603; 109.864; 98.834		2942.02Pernik, 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 CIFC57 H52 B F26 P2 RhP 4313.1403; 13.1403; 34.4622
90; 90; 90		5950.5Pernik, 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 CIFC52 H49 B F25 P2 RhP 1 21/c 117.7994; 17.3901; 19.0524
90; 109.328; 90		5564.97Pernik, 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 CIFC59 H56 B F26 P2 RhP -112.6572; 13.247; 19.6804
104.275; 106.494; 91.3854		3050.53Pernik, 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

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