Crystallography Open Database

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Searching journal of publication like 'ACS Catalysis'

COD ID: 4501447
CIF file Formula: - C39 H42 Cl4 N2 O2 Ti -
Comments: 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 1(4) (2011) 254
Space group: P 1 21/c 1
Cell volume: 3704.08
Cell parameters: 16.8818; 10.7967; 20.6102; 90; 99.5901; 90;  

COD ID: 4501448
CIF file Formula: - C47 H59 Cl2 N2 O2 Ti -
Comments: 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 1(4) (2011) 254
Space group: P 1 21/a 1
Cell volume: 4371
Cell parameters: 15.976; 25.591; 10.943; 90; 102.3; 90;  

COD ID: 4501449
CIF file Formula: - C20 H19 Br N4 O5 -
Comments: 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 1(3) (2011) 221
Space group: P 1 21 1
Cell volume: 1006.6
Cell parameters: 7.8416; 13.964; 9.5724; 90; 106.198; 90;  

COD ID: 4501450
CIF file Formula: - C22 H32 B N3 O3 Zn -
Comments: 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 1(7) (2011) 698
Space group: P 1 21/c 1
Cell volume: 2333.61
Cell parameters: 10.8363; 13.4156; 16.1656; 90; 96.788; 90;  

COD ID: 4501451
CIF file Formula: - C31 H42 B N3 O4.5 Zn -
Comments: 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 1(7) (2011) 698
Space group: P 1 21/c 1
Cell volume: 3240
Cell parameters: 21.569; 9.896; 15.813; 90; 106.292; 90;  

COD ID: 4501452
CIF file Formula: - C17 H20 O2 Si -
Comments: 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 1(7) (2011) 698
Space group: P -1
Cell volume: 780.6
Cell parameters: 7.821; 8.589; 13.088; 84.193; 86.915; 63.19;  

COD ID: 4501453
CIF file Formula: - C13 H20 O2 Si -
Comments: 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 1(7) (2011) 698
Space group: P 1 21/c 1
Cell volume: 1338.01
Cell parameters: 7.7423; 12.8158; 13.6032; 90; 97.565; 90;  

COD ID: 4501454
CIF file Formula: - C53.33 H52 Co F6 N4 O6.67 S2.67 Sb -
Comments: 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
Space group: P -1
Cell volume: 4015.2
Cell parameters: 15.694; 16.579; 17.451; 87.054; 88.06; 62.315;  

COD ID: 4501455
CIF file Formula: - C41 H55 Hf N5 S -
Comments: 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 1(8) (2011) 887
Space group: P 1 21/c 1
Cell volume: 3951.6
Cell parameters: 17.633; 10.0494; 22.504; 90; 97.714; 90;  

COD ID: 4501456
CIF file Formula: - C38 H46 Hf N2 S -
Comments: 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 1(8) (2011) 887
Space group: P -1
Cell volume: 1881
Cell parameters: 11.2458; 13.4734; 13.5863; 67.489; 81.795; 88.766;  

COD ID: 4501457
CIF file Formula: - C35 H46 Hf N4 O S -
Comments: 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 1(8) (2011) 887
Space group: P 1 21/c 1
Cell volume: 3375.4
Cell parameters: 14.4153; 14.2346; 16.653; 90; 98.959; 90;  

COD ID: 4501458
CIF file Formula: - C48 H72 Hf N6 O -
Comments: 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 1(8) (2011) 887
Space group: P 1 21/n 1
Cell volume: 10070
Cell parameters: 21.626; 19.173; 25.68; 90; 108.965; 90;  

COD ID: 4501459
CIF file Formula: - C33 H49 Cl N O P Ru -
Comments: 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 1(8) (2011) 872
Space group: P -1
Cell volume: 1573.79
Cell parameters: 8.972; 9.6985; 18.4616; 100.458; 94.892; 90.021;  

COD ID: 4501460
CIF file Formula: - C43 H50 Cl N3 O Ru -
Comments: 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 1(8) (2011) 872
Space group: P 1 21/c 1
Cell volume: 3992.8
Cell parameters: 16.7458; 16.9502; 14.9589; 90; 109.887; 90;  

COD ID: 4501461
CIF file Formula: - C18 H36 F5 N4 O4 Zn -
Comments: 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 1(10) (2011) 1178
Space group: P -1
Cell volume: 1087.4
Cell parameters: 7.944; 8.854; 16.032; 79.805; 81.63; 80.763;  

COD ID: 4501462
CIF file Formula: - C42 H78 N2 O8 Pd Si2 -
Comments: 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 1(10) (2011) 1166
Space group: P 1 21/n 1
Cell volume: 5013
Cell parameters: 13.76; 24.958; 14.913; 90; 101.799; 90;  

COD ID: 4501463
CIF file Formula: - C31 H54 N2 O4 Pd Si -
Comments: 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 1(10) (2011) 1166
Space group: C 1 2/c 1
Cell volume: 7770.2
Cell parameters: 33.989; 9.3744; 28.483; 90; 121.11; 90;  

COD ID: 4501464
CIF file Formula: - C16 H30 F6 Fe N4 O6 S2 -
Comments: Feng, Yan; England, Jason; Que, Lawrence Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites ACS Catalysis 1(9) (2011) 1035
Space group: F d d 2
Cell volume: 4723.8
Cell parameters: 8.8289; 32.679; 16.3726; 90; 90; 90;  

COD ID: 4501465
CIF file Formula: - C20 H23 Cl4 N3 Ni O2 -
Comments: 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 1(10) (2011) 1213
Space group: P -1
Cell volume: 1137.8
Cell parameters: 7.7306; 10.879; 13.935; 87.26; 78.61; 82.14;  

COD ID: 4501466
CIF file Formula: - C21 H25 Cl2 N3 Ni O2 -
Comments: 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 1(10) (2011) 1213
Space group: P 1 21/n 1
Cell volume: 2191.3
Cell parameters: 9.1206; 28.489; 9.4194; 90; 116.45; 90;  

COD ID: 4501467
CIF file Formula: - C21 H25 Cl2 N3 Ni O2 -
Comments: 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 1(10) (2011) 1213
Space group: P -1
Cell volume: 1274.8
Cell parameters: 8.4918; 11.126; 14.794; 107.41; 103.11; 96.34;  

COD ID: 4501468
CIF file Formula: - C20 H23 Cl3 N3 Ni0.5 O2 -
Comments: 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 1(10) (2011) 1213
Space group: P -1
Cell volume: 1053.7
Cell parameters: 9.1269; 10.212; 12.557; 112.06; 96.8; 98.4;  

COD ID: 4505631
CIF file Formula: - C48 H56 Br4 N4 Ni2 -
Comments: 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 2(3) (2012) 433
Space group: P 1 21/n 1
Cell volume: 2308.4
Cell parameters: 14.0495; 9.9391; 17.681; 90; 110.777; 90;  

COD ID: 4505632
CIF file Formula: - C27 H35 Br2 Cl4 N2 Ni O -
Comments: 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 2(3) (2012) 433
Space group: P 1 21/c 1
Cell volume: 3510.9
Cell parameters: 18.146; 12.048; 18.386; 90; 119.14; 90;  

COD ID: 4505633
CIF file Formula: - C38 H52 Br2 N4 Ni -
Comments: 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 2(3) (2012) 433
Space group: P 1 21/c 1
Cell volume: 1866.3
Cell parameters: 11.7518; 10.9119; 18.5929; 90; 128.486; 90;  

COD ID: 4505634
CIF file Formula: - C18 H20 I N O5 S -
Comments: 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 2(2) (2012) 219
Space group: P 1 21/n 1
Cell volume: 1911.7
Cell parameters: 9.806; 12.76; 15.657; 90; 102.62; 90;  

COD ID: 4505635
CIF file Formula: - C19 H22 I N O5 S -
Comments: 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 2(2) (2012) 219
Space group: P 1 21/c 1
Cell volume: 1910.5
Cell parameters: 7.172; 7.921; 33.699; 90; 93.67; 90;  

COD ID: 4506119
CIF file Formula: - C50 H58 Cl4 O6 P2 Pd2 S2 -
Comments: 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 2(6) (2012) 1187
Space group: C 1 2/c 1
Cell volume: 5058
Cell parameters: 20.009; 13.184; 19.278; 90; 95.989; 90;  

COD ID: 4506120
CIF file Formula: - C72 H102 O6 P2 Pd2 S2 -
Comments: 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 2(6) (2012) 1187
Space group: P 1 21/c 1
Cell volume: 3535.2
Cell parameters: 17.934; 10.371; 25.392; 90; 131.536; 90;  

COD ID: 4506121
CIF file Formula: - C58 H61 B F15 O4 P Pd S -
Comments: 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 2(6) (2012) 1187
Space group: C 1 2/c 1
Cell volume: 11834
Cell parameters: 36.529; 13.21; 24.939; 90; 100.456; 90;  

COD ID: 4506122
CIF file Formula: - C56 H48 Cl12 N4 O18 Rh2 -
Comments: 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 2(6) (2012) 1221
Space group: I 2 3
Cell volume: 51434.4
Cell parameters: 37.1893; 37.1893; 37.1893; 90; 90; 90;  

COD ID: 4506582
CIF file Formula: - C21 H27 N O3 Si -
Comments: Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis 2(8) (2012) 1661
Space group: P 1 21 1
Cell volume: 997.24
Cell parameters: 11.7148; 6.9828; 13.444; 90; 114.935; 90;  

COD ID: 4506583
CIF file Formula: - C23 H32 F3 N O4 S Si -
Comments: Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis 2(8) (2012) 1661
Space group: P 21 21 21
Cell volume: 2439.32
Cell parameters: 8.52; 8.5557; 33.4637; 90; 90; 90;  

COD ID: 4506584
CIF file Formula: - C27 H39 N O3 Si -
Comments: Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis 2(8) (2012) 1661
Space group: P 21 21 21
Cell volume: 2571.33
Cell parameters: 12.6433; 13.8501; 14.684; 90; 90; 90;  

COD ID: 4506585
CIF file Formula: - C16 H20 Cl N O Si -
Comments: Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis 2(8) (2012) 1661
Space group: P 21 21 21
Cell volume: 1632.1
Cell parameters: 7.5343; 8.5707; 25.2748; 90; 90; 90;  

COD ID: 4506586
CIF file Formula: - C11 H8 Br N3 O3 -
Comments: Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes ACS Catalysis 2(8) (2012) 1535
Space group: P 1 21 1
Cell volume: 578.19
Cell parameters: 9.4259; 5.1093; 12.799; 90; 110.279; 90;  

COD ID: 4506587
CIF file Formula: - C62 H70 Fe2 N16 O2 -
Comments: 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 2(8) (2012) 1760
Space group: C 1 2/c 1
Cell volume: 12356
Cell parameters: 31.222; 17.025; 23.69; 90; 101.133; 90;  

COD ID: 4506588
CIF file Formula: - C29 H29 Fe N9 -
Comments: 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 2(8) (2012) 1760
Space group: P 1 21/c 1
Cell volume: 2727.7
Cell parameters: 15.7139; 10.318; 17.0218; 90; 98.758; 90;  

COD ID: 4507135
CIF file Formula: - C39 H21 Ag3 F18 N6 -
Comments: 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 2(10) (2012) 2066
Space group: P -1
Cell volume: 2017.54
Cell parameters: 9.7393; 13.5428; 16.9533; 94.039; 104.186; 109.322;  

COD ID: 4507136
CIF file Formula: - C31 H31 Cl3 Cr N4 P -
Comments: 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 2(12) (2012) 2452
Space group: P b c a
Cell volume: 6222.4
Cell parameters: 11.2332; 16.7375; 33.095; 90; 90; 90;  

COD ID: 4507137
CIF file Formula: - C23 H26 Cl3 Cr N3 P -
Comments: 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 2(12) (2012) 2452
Space group: P n a 21
Cell volume: 2561.1
Cell parameters: 11.5487; 14.419; 15.38; 90; 90; 90;  

COD ID: 4507138
CIF file Formula: - C33 H40 Cl3 F3 N2 O3 Ru S -
Comments: 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 2(12) (2012) 2505
Space group: P -1
Cell volume: 1799.1
Cell parameters: 10.788; 12.131; 16.206; 89.72; 71.49; 64.83;  

COD ID: 4507139
CIF file Formula: - C35 H44 Cl3 F3 N2 O3 Ru S -
Comments: 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 2(12) (2012) 2505
Space group: P 1 21/c 1
Cell volume: 3696.92
Cell parameters: 13.3963; 12.4531; 23.0725; 90; 106.164; 90;  

COD ID: 4507140
CIF file Formula: - C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91 -
Comments: 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 2(12) (2012) 2505
Space group: P -1
Cell volume: 3340
Cell parameters: 13.411; 14.9649; 18.0317; 98.982; 96.074; 108.632;  

COD ID: 4507141
CIF file Formula: - C28 H34 N2 Ru -
Comments: 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 2(12) (2012) 2505
Space group: P 1 21 1
Cell volume: 1180.77
Cell parameters: 7.7447; 12.5622; 12.1814; 90; 94.917; 90;  

COD ID: 4507142
CIF file Formula: - C51 H48 B F25 N P2 Rh -
Comments: 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 2(12) (2012) 2779
Space group: P 1 21/c 1
Cell volume: 5522.39
Cell parameters: 17.2281; 17.5318; 18.888; 90; 104.533; 90;  

COD ID: 4507143
CIF file Formula: - C53 H51 B F24 N O P2 Rh S -
Comments: 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 2(12) (2012) 2779
Space group: P -1
Cell volume: 2942.02
Cell parameters: 12.2384; 15.4948; 17.5543; 103.603; 109.864; 98.834;  

COD ID: 4507144
CIF file Formula: - C57 H52 B F26 P2 Rh -
Comments: 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 2(12) (2012) 2779
Space group: P 43
Cell volume: 5950.5
Cell parameters: 13.1403; 13.1403; 34.4622; 90; 90; 90;  

COD ID: 4507145
CIF file Formula: - C52 H49 B F25 P2 Rh -
Comments: 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 2(12) (2012) 2779
Space group: P 1 21/c 1
Cell volume: 5564.97
Cell parameters: 17.7994; 17.3901; 19.0524; 90; 109.328; 90;  

COD ID: 4507146
CIF file Formula: - C59 H56 B F26 P2 Rh -
Comments: 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 2(12) (2012) 2779
Space group: P -1
Cell volume: 3050.53
Cell parameters: 12.6572; 13.247; 19.6804; 104.275; 106.494; 91.3854;  

COD ID: 4507147
CIF file Formula: - C63 H64 B F25 N P2 Rh -
Comments: 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 2(12) (2012) 2779
Space group: P 1 21/c 1
Cell volume: 6608.74
Cell parameters: 13.8162; 18.0951; 26.4511; 90; 92.0377; 90;  

COD ID: 4507148
CIF file Formula: - C39 H51 Cu N2 O -
Comments: 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 2(10) (2012) 2182
Space group: P 1 21/n 1
Cell volume: 3615.9
Cell parameters: 12.747; 14.427; 19.799; 90; 96.74; 90;  

COD ID: 4507149
CIF file Formula: - C19 H18 Co O4 P -
Comments: Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis 2(12) (2012) 2512
Space group: P n a 21
Cell volume: 1856.4
Cell parameters: 14.5719; 17.2445; 7.3877; 90; 90; 90;  

COD ID: 4507150
CIF file Formula: - C16 H25 Co O3 P -
Comments: Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis 2(12) (2012) 2512
Space group: P -1
Cell volume: 843.74
Cell parameters: 9.0646; 9.2649; 11.4599; 94.012; 108.645; 109.326;  

COD ID: 4507151
CIF file Formula: - C32 H50 Co2 O6 P2 -
Comments: Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis 2(12) (2012) 2512
Space group: P 1 21/n 1
Cell volume: 1699.24
Cell parameters: 12.6461; 9.7325; 14.7834; 90; 110.949; 90;  

COD ID: 4507431
CIF file Formula: - C192 H144 Cu4 N28 O12 -
Comments: 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 3(1) (2013) 1
Space group: A b a 2
Cell volume: 16536
Cell parameters: 26.531; 29.2825; 21.2848; 90; 90; 90;  

COD ID: 4507432
CIF file Formula: - C100 H80 Cu4 N20 O22 -
Comments: 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 3(1) (2013) 1
Space group: P -1
Cell volume: 2338.2
Cell parameters: 13.373; 13.767; 14.926; 104.973; 103.729; 109.545;  

COD ID: 4507433
CIF file Formula: - C46 H50 Cl2 F5 N3 O3 Ru -
Comments: 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 3(2) (2013) 259-264
Space group: P 1 21/n 1
Cell volume: 8729.6
Cell parameters: 24.2414; 12.5158; 30.0577; 90; 106.816; 90;  

COD ID: 4507438
CIF file Formula: - C14 H8 Br Fe2 N O6 S2 -
Comments: 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 3(3) (2013) 429
Space group: P -1
Cell volume: 887.7
Cell parameters: 7.6922; 10.824; 11.227; 74.383; 86.307; 80.513;  

COD ID: 4507767
CIF file Formula: - C20 H18 N2 O3 -
Comments: 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 3(4) (2013) 507
Space group: P 1 21/n 1
Cell volume: 1794.1
Cell parameters: 10.5224; 8.7192; 20.0164; 90; 102.322; 90;  

COD ID: 4507768
CIF file Formula: - C11 H13 F3 N2 O7 -
Comments: Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis 3(4) (2013) 502
Space group: P 21 21 21
Cell volume: 1436.5
Cell parameters: 6.0338; 7.3229; 32.512; 90; 90; 90;  

COD ID: 4507769
CIF file Formula: - C10 H11 F3 O4 -
Comments: Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis 3(4) (2013) 502
Space group: P 1 21 1
Cell volume: 1135.23
Cell parameters: 5.2612; 8.0356; 26.8522; 90; 90.009; 90;  

COD ID: 4507770
CIF file Formula: - C7 H10 F3 N O3 -
Comments: Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis 3(4) (2013) 502
Space group: P 43 21 2
Cell volume: 1761.2
Cell parameters: 7.0694; 7.0694; 35.24; 90; 90; 90;  

COD ID: 4507771
CIF file Formula: - C8 H12 F3 N O3 -
Comments: Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis 3(4) (2013) 502
Space group: P 21 21 21
Cell volume: 1041.7
Cell parameters: 6.4729; 7.3947; 21.763; 90; 90; 90;  

COD ID: 4507772
CIF file Formula: - C12 H12 F3 N O3 S -
Comments: Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis 3(4) (2013) 502
Space group: P 1
Cell volume: 333.07
Cell parameters: 5.1139; 6.3453; 11.289; 82.575; 79.056; 68.124;  

COD ID: 4507773
CIF file Formula: - C19 H19 Cl2 N O2 S -
Comments: Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis 3(4) (2013) 663
Space group: P -1
Cell volume: 911.7
Cell parameters: 7.077; 7.792; 17.241; 83.163; 83.039; 75.993;  

COD ID: 4507774
CIF file Formula: - C16 H22 Cl N O2 S -
Comments: Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis 3(4) (2013) 663
Space group: P b c a
Cell volume: 3382.7
Cell parameters: 14.8823; 15.0709; 15.0819; 90; 90; 90;  

COD ID: 4507775
CIF file Formula: - C22 H18 Br N O4 S -
Comments: Jia, Min-Qiang; You, Shu-Li N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde‒Ketone Benzoin Reactions ACS Catalysis 3(4) (2013) 622
Space group: P 21 21 21
Cell volume: 2017
Cell parameters: 8.6638; 10.6945; 21.769; 90; 90; 90;  

COD ID: 4507776
CIF file Formula: - C13 H15 N O2 -
Comments: 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 3(4) (2013) 790
Space group: P -1
Cell volume: 542
Cell parameters: 6.5346; 8.803; 10.4461; 85.089; 75.857; 68.462;  

COD ID: 4507881
CIF file Formula: - C60 H52 Cl2 F12 N10 O4 P2 Ru2 -
Comments: 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 3(5) (2013) 812
Space group: C 1 2/c 1
Cell volume: 12228.9
Cell parameters: 19.5432; 27.2305; 23.3159; 90; 99.748; 90;  

COD ID: 4507882
CIF file Formula: - C30 H27 Cl F6 N4 O2 P Ru -
Comments: 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 3(5) (2013) 812
Space group: P 1 21/n 1
Cell volume: 3014.3
Cell parameters: 11.4748; 22.961; 11.4873; 90; 95.161; 90;  

COD ID: 4507883
CIF file Formula: - C29 H34 Cl F9 N5 P Ru -
Comments: 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 3(5) (2013) 812
Space group: P 1 21/n 1
Cell volume: 3014
Cell parameters: 8.6237; 30.965; 11.965; 90; 109.38; 90;  

COD ID: 4508109
CIF file Formula: - C25 H20 Br N6 O4 Re -
Comments: 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 3(8) (2013) 1685
Space group: P 1 21/n 1
Cell volume: 2571.7
Cell parameters: 11.6786; 19.4125; 11.7398; 90; 104.932; 90;  

COD ID: 4508110
CIF file Formula: - C44 H72 O4 S2 V -
Comments: 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 3(8) (2013) 1764
Space group: P 1 21/c 1
Cell volume: 4376.6
Cell parameters: 14.843; 16.907; 17.478; 90; 93.767; 90;  

COD ID: 4508111
CIF file Formula: - C56 H70 Cl3 Nb O2 S2 -
Comments: 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 3(8) (2013) 1764
Space group: P 1 21/c 1
Cell volume: 5417
Cell parameters: 17.747; 15.722; 19.957; 90; 103.391; 90;  

COD ID: 4508112
CIF file Formula: - C44 H64 Cl3 O2 S2 Ta -
Comments: 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 3(8) (2013) 1764
Space group: P 1 21 1
Cell volume: 2222.6
Cell parameters: 14.0634; 11.496; 14.0371; 90; 101.661; 90;  

COD ID: 4508355
CIF file Formula: - C44 H70 Cl5 Co N4 O2 -
Comments: 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
Space group: C 1 2/c 1
Cell volume: 9290.9
Cell parameters: 39.868; 11.8049; 19.788; 90; 93.947; 90;  

COD ID: 4508356
CIF file Formula: - C25 H25 Cl1.25 Co1.25 N5 O2.5 -
Comments: 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
Space group: P 21 21 21
Cell volume: 4940
Cell parameters: 34.074; 10.4676; 13.8502; 90; 90; 90;  

COD ID: 4508362
CIF file Formula: - C18 H28 Cl2 F6 Ir N2 O2 P -
Comments: 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 3(10) (2013) 2304
Space group: P 1 21/c 1
Cell volume: 2424
Cell parameters: 12.129; 11.4374; 17.545; 90; 95.165; 90;  

COD ID: 4508363
CIF file Formula: - C32 H50 F6 Ir2 N4 O7 S2 -
Comments: 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 3(10) (2013) 2304
Space group: P -1
Cell volume: 1934.2
Cell parameters: 10.982; 13.584; 15.035; 95.693; 108.315; 110.76;  

COD ID: 4508364
CIF file Formula: - C49 H45 Cl3 Mo N4 O2 P2 Zn -
Comments: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis 3(10) (2013) 2208
Space group: P 1 21/c 1
Cell volume: 4942.06
Cell parameters: 20.0576; 14.3652; 17.229; 90; 95.415; 90;  

COD ID: 4508365
CIF file Formula: - C153 H110 B2 F48 Mo2 N8 O4 P4 -
Comments: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis 3(10) (2013) 2208
Space group: P -1
Cell volume: 3761.96
Cell parameters: 12.4979; 15.4233; 19.774; 88.382; 81.163; 87.527;  

COD ID: 4508366
CIF file Formula: - C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -
Comments: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis 3(10) (2013) 2208
Space group: P -1
Cell volume: 4116.7
Cell parameters: 16.0776; 17.0716; 18.0135; 105.257; 115.011; 98.938;  

COD ID: 4508367
CIF file Formula: - C45 H36 Cl Mo N O4 P2 -
Comments: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis 3(10) (2013) 2208
Space group: P 1 21/c 1
Cell volume: 3930.82
Cell parameters: 11.5883; 13.8586; 24.9475; 90; 101.155; 90;  

COD ID: 4508368
CIF file Formula: - C82 H84 Cl2 Mo2 N2 O5 P6 -
Comments: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis 3(10) (2013) 2208
Space group: P 1 21/n 1
Cell volume: 3859.88
Cell parameters: 10.2639; 21.2569; 18.332; 90; 105.192; 90;  

COD ID: 4508369
CIF file Formula: - C54 H43 Cl Mo N O2 P3 -
Comments: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis 3(10) (2013) 2208
Space group: P 1 21/n 1
Cell volume: 4574.74
Cell parameters: 19.3956; 12.6738; 20.4746; 90; 114.639; 90;  

COD ID: 4508370
CIF file Formula: - C23 H39 Ir O3 P2 -
Comments: Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes ACS Catalysis 3(10) (2013) 2391
Space group: P -1
Cell volume: 1257.9
Cell parameters: 8.288; 11.99; 13.424; 100.742; 95.96; 103.708;  

COD ID: 4508371
CIF file Formula: - C55 H52 B F24 Ir O3 P2 -
Comments: Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes ACS Catalysis 3(10) (2013) 2391
Space group: C 1 2/c 1
Cell volume: 11991
Cell parameters: 16.707; 18.088; 39.933; 90; 96.48; 90;  

COD ID: 4508372
CIF file Formula: - C36 H47 N3 Zn -
Comments: Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I. Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles ACS Catalysis 3(10) (2013) 2336
Space group: P 1 21/n 1
Cell volume: 3269.12
Cell parameters: 12.4548; 12.8516; 20.4735; 90; 93.992; 90;  

COD ID: 4508373
CIF file Formula: - C24 H40 N2 O3 P Ru -
Comments: Huff, Chelsea A.; Sanford, Melanie S. Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex ACS Catalysis 3(10) (2013) 2412
Space group: C 1 2/c 1
Cell volume: 5060
Cell parameters: 32.0382; 11.1091; 16.1622; 90; 118.402; 90;  

COD ID: 4508374
CIF file Formula: - C34 H30 Cr O4 P2 -
Comments: 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 3(10) (2013) 2311
Space group: P b c a
Cell volume: 12481
Cell parameters: 18.625; 20.786; 32.239; 90; 90; 90;  

COD ID: 4508375
CIF file Formula: - C16 H27 Ir O5 S -
Comments: Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis 3(10) (2013) 2421
Space group: P b c a
Cell volume: 3722.7
Cell parameters: 9.218; 16.424; 24.589; 90; 90; 90;  

COD ID: 4508376
CIF file Formula: - C16 H21 F6 Ir O5 S -
Comments: Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis 3(10) (2013) 2421
Space group: P 21 21 21
Cell volume: 2116.6
Cell parameters: 9.08; 14.954; 15.588; 90; 90; 90;  

COD ID: 4508377
CIF file Formula: - C19 H24 Ir N O5 S -
Comments: Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis 3(10) (2013) 2421
Space group: P 1 21/c 1
Cell volume: 1932.5
Cell parameters: 8.2462; 14.311; 16.825; 90; 103.277; 90;  

COD ID: 4508378
CIF file Formula: - C19 H24 Cl Ir O3 S -
Comments: Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis 3(10) (2013) 2421
Space group: P 1 21/c 1
Cell volume: 3938.5
Cell parameters: 19.779; 8.4715; 30.216; 90; 128.931; 90;  

COD ID: 4508379
CIF file Formula: - C44 H36 Cu4 F12 N8 O16 S4 -
Comments: Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S. Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems ACS Catalysis 3(11) (2013) 2599
Space group: P 1 21/c 1
Cell volume: 5427.2
Cell parameters: 25.452; 13.8983; 15.856; 90; 104.624; 90;  

COD ID: 4508380
CIF file Formula: - C32 H28 N2 O5 -
Comments: 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 3(11) (2013) 2501
Space group: P -1
Cell volume: 1336.7
Cell parameters: 9.231; 10.439; 15.222; 92.356; 94.503; 113.508;  

COD ID: 4508381
CIF file Formula: - C31 H24 N3 O5.5 -
Comments: 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 3(11) (2013) 2501
Space group: C 1 2/c 1
Cell volume: 5781.9
Cell parameters: 15.715; 22.582; 16.682; 90; 102.4; 90;  

COD ID: 4508603
CIF file Formula: - C15 H10 Cl N O2 -
Comments: 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 3(12) (2013) 2705
Space group: P 1 21/n 1
Cell volume: 1273.73
Cell parameters: 3.9967; 25.9143; 12.3646; 90; 95.947; 90;  

COD ID: 4508604
CIF file Formula: - C70 H102 N4 O2 Rh2 -
Comments: 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 3(12) (2013) 2910
Space group: P -1
Cell volume: 1564.5
Cell parameters: 11.021; 11.519; 14.052; 68.604; 73.514; 74.287;  

COD ID: 4508605
CIF file Formula: - C18 H21 N O2 -
Comments: Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H. Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111) ACS Catalysis 3(12) (2013) 2677
Space group: C 1 2 1
Cell volume: 3103.55
Cell parameters: 22.6541; 8.25169; 17.39574; 90; 107.371; 90;  

COD ID: 4508606
CIF file Formula: - C13 H21 Au Cl N3 O5 S -
Comments: Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis 3(12) (2013) 3086
Space group: C 1 2/c 1
Cell volume: 3742.5
Cell parameters: 28.7265; 8.8069; 14.8574; 90; 95.337; 90;  

COD ID: 4508607
CIF file Formula: - C14 H21 Au Cl3 N3 O4 S2 -
Comments: Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis 3(12) (2013) 3086
Space group: C 1 2/c 1
Cell volume: 5253
Cell parameters: 25.769; 11.48; 18.59; 90; 107.214; 90;  

COD ID: 4508608
CIF file Formula: - C14.5 H20 Au Cl3 N3 O3.5 S -
Comments: Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis 3(12) (2013) 3086
Space group: P 1 2/c 1
Cell volume: 4050.36
Cell parameters: 24.0394; 8.8925; 21.0847; 90; 116.022; 90;  

COD ID: 4508609
CIF file Formula: - C12 H14 Au Cl2 N3 O3 S -
Comments: Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis 3(12) (2013) 3086
Space group: P 1 21/n 1
Cell volume: 1589.68
Cell parameters: 9.717; 12.6841; 13.5632; 90; 108.02; 90;  

COD ID: 4509833
CIF file Formula: - C22 H24 N2 O6 -
Comments: Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J. One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis. ACS catalysis 4(2) (2014) 634-638
Space group: P 65
Cell volume: 3092.76
Cell parameters: 9.8241; 9.8241; 37.0024; 90; 90; 120;  

COD ID: 4509834
CIF file Formula: - C34 H30 Cl N O4 S -
Comments: Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives ACS Catalysis 4(2) (2014) 600
Space group: P 1 21/c 1
Cell volume: 2851.5
Cell parameters: 13.489; 19.154; 12.366; 90; 116.81; 90;  

COD ID: 4509835
CIF file Formula: - C15.5 H19 I Ir N O2 -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: P 1 21/c 1
Cell volume: 3482.2
Cell parameters: 9.0412; 31.3975; 12.3426; 90; 96.356; 90;  

COD ID: 4509836
CIF file Formula: - C14 H23 Cl Ir N O2 -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: P -1
Cell volume: 1657.2
Cell parameters: 9.1576; 11.2916; 16.2687; 99.653; 91.159; 91.704;  

COD ID: 4509837
CIF file Formula: - C42 H63 F9 Ir3 N3 O16 S3 -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: P 21 21 21
Cell volume: 5637.3
Cell parameters: 12.8738; 16.382; 26.73; 90; 90; 90;  

COD ID: 4509838
CIF file Formula: - C15 H22 F3 Ir N2 O5 S -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: C 1 2/c 1
Cell volume: 4138.1
Cell parameters: 26.456; 8.5874; 21.4517; 90; 121.888; 90;  

COD ID: 4509839
CIF file Formula: - C14 H26 Cl Ir N2 O2 -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: P -1
Cell volume: 819.37
Cell parameters: 8.9727; 10.0097; 10.1814; 75.441; 78.89; 68.698;  

COD ID: 4509840
CIF file Formula: - C10.5 H26 Cl2 Ir N3 O0.5 -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: P 1 21/c 1
Cell volume: 3318.8
Cell parameters: 10.3281; 13.3359; 24.1586; 90; 94.1269; 90;  

COD ID: 4509841
CIF file Formula: - C6 H13 N O2 -
Comments: Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis 4(1) (2014) 152
Space group: P 1 21/n 1
Cell volume: 728.5
Cell parameters: 8.3622; 9.0389; 9.9889; 90; 105.24; 90;  

COD ID: 4509842
CIF file Formula: - C42 H34 Cl6 O6 P2 Ru -
Comments: Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis 4(1) (2014) 311
Space group: P -1
Cell volume: 2180
Cell parameters: 9.915; 11.919; 20.194; 97.563; 91.49; 112.378;  

COD ID: 4509843
CIF file Formula: - C76 H64 Na O30 P3 Ru6 -
Comments: Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis 4(1) (2014) 311
Space group: P -1
Cell volume: 4111.9
Cell parameters: 16.3958; 17.5531; 17.6055; 101.46; 113.756; 107.585;  

COD ID: 4509844
CIF file Formula: - C42.2 H34 Cl0.3 O2.71 P2 Ru -
Comments: Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis 4(1) (2014) 311
Space group: P 1 21/c 1
Cell volume: 3918.6
Cell parameters: 17.7301; 12.3659; 18.3431; 90; 102.999; 90;  

COD ID: 4509845
CIF file Formula: - C39 H32 O6 P2 Ru -
Comments: Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis 4(1) (2014) 311
Space group: P b c n
Cell volume: 3250.4
Cell parameters: 19.0814; 10.8848; 15.6495; 90; 90; 90;  

COD ID: 4509846
CIF file Formula: - C42 H32 O8 P2 Ru2 -
Comments: Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis 4(1) (2014) 311
Space group: P 1 21/n 1
Cell volume: 3829.6
Cell parameters: 13.2898; 19.8988; 14.5203; 90; 94.197; 90;  

COD ID: 4509847
CIF file Formula: - C19 H22 Cl F N2 O -
Comments: Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives ACS Catalysis 4(1) (2014) 49
Space group: P -1
Cell volume: 874.7
Cell parameters: 9.508; 9.679; 10.314; 82.54; 74.65; 73.17;  

COD ID: 4510029
CIF file Formula: - C19 H44 B2 F8 Ir N4 O2 P3 -
Comments: Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis 4(3) (2014) 973
Space group: P 21 21 21
Cell volume: 3205.5
Cell parameters: 12.4567; 14.2413; 18.0693; 90; 90; 90;  

COD ID: 4510030
CIF file Formula: - C15 H21 B Cl F4 Ir N4 -
Comments: Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis 4(3) (2014) 973
Space group: P 1 21 1
Cell volume: 916.05
Cell parameters: 8.4218; 10.3619; 10.7421; 90; 102.256; 90;  

COD ID: 4510031
CIF file Formula: - C36 H63 B Cl F4 Ir N4 O -
Comments: Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis 4(3) (2014) 973
Space group: P 1 21/c 1
Cell volume: 3974.9
Cell parameters: 13.9451; 22.7483; 13.5566; 90; 112.44; 90;  

COD ID: 4510032
CIF file Formula: - C27 H53 B2 F8 Ir N4 O3 P2 -
Comments: Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis 4(3) (2014) 973
Space group: P 21 21 21
Cell volume: 3600.7
Cell parameters: 10.2065; 11.645; 30.295; 90; 90; 90;  

COD ID: 4510033
CIF file Formula: - C24 H44 B2 F8 Ir N4 O P -
Comments: Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis 4(3) (2014) 973
Space group: P 1 21/c 1
Cell volume: 3039.9
Cell parameters: 10.6139; 10.4084; 27.7107; 90; 96.783; 90;  

COD ID: 4510034
CIF file Formula: - C20 H45 B2 F8 Ir N4 P4 -
Comments: Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis 4(3) (2014) 973
Space group: P 1 21/c 1
Cell volume: 3231.9
Cell parameters: 15.4119; 10.641; 20.2231; 90; 102.973; 90;  

COD ID: 4510035
CIF file Formula: - C28 H36 N Ni O P -
Comments: Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group ACS Catalysis 4(3) (2014) 999
Space group: P 1 21/c 1
Cell volume: 2489.28
Cell parameters: 10.6892; 27.0455; 9.0785; 90; 108.475; 90;  

COD ID: 4510036
CIF file Formula: - C53 H52 N2 Ni O6 S2 -
Comments: Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group ACS Catalysis 4(3) (2014) 999
Space group: C 1 c 1
Cell volume: 4617.4
Cell parameters: 16.4657; 18.901; 16.0566; 90; 112.481; 90;  

COD ID: 4510037
CIF file Formula: - C22 H32 N Ni O3 P S -
Comments: Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group ACS Catalysis 4(3) (2014) 999
Space group: P -1
Cell volume: 1131.76
Cell parameters: 10.1443; 10.6795; 11.1867; 89.583; 69.987; 83.908;  

COD ID: 4510383
CIF file Formula: - C19 H17 O4 P -
Comments: Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity ACS Catalysis 4(5) (2014) 1390
Space group: P 1 21 1
Cell volume: 867.92
Cell parameters: 8.8426; 7.5945; 12.9242; 90; 90.186; 90;  

COD ID: 4510384
CIF file Formula: - C29 H21 O2 P -
Comments: Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity ACS Catalysis 4(5) (2014) 1390
Space group: P 21 21 21
Cell volume: 4599.69
Cell parameters: 10.228; 20.6215; 21.8081; 90; 90; 90;  

COD ID: 4510477
CIF file Formula: - C36 H39 F6 Mn N4 O6.5 S2 -
Comments: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis 4(5) (2014) 1599
Space group: P 1 21 1
Cell volume: 3910.44
Cell parameters: 10.6617; 24.3076; 15.0889; 90; 90.1235; 90;  

COD ID: 4510478
CIF file Formula: - C30 H30 F6 Mn N4 O6 S2 -
Comments: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis 4(5) (2014) 1599
Space group: P 1 21 1
Cell volume: 1651.25
Cell parameters: 9.6677; 15.7748; 11.2312; 90; 105.41; 90;  

COD ID: 4510479
CIF file Formula: - C28 H38 F6 Mn N4 O8 S2 -
Comments: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis 4(5) (2014) 1599
Space group: P 21 21 2
Cell volume: 3347.3
Cell parameters: 17.4006; 17.4254; 11.0395; 90; 90; 90;  

COD ID: 4510480
CIF file Formula: - C26 H36 F6 Mn N6 O6 S2 -
Comments: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis 4(5) (2014) 1599
Space group: I 2 3
Cell volume: 34210
Cell parameters: 32.4626; 32.4626; 32.4626; 90; 90; 90;  

COD ID: 4510481
CIF file Formula: - C30 H44 F6 Mn N6 O6 S2 -
Comments: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis 4(5) (2014) 1599
Space group: P 1 21 1
Cell volume: 1775.26
Cell parameters: 8.6096; 19.9107; 11.0566; 90; 110.506; 90;  

COD ID: 4510813
CIF file Formula: - C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -
Comments: Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene ACS Catalysis 4(6) (2014) 1850
Space group: P 1 21 1
Cell volume: 6388.2
Cell parameters: 15.433; 29.985; 15.798; 90; 119.094; 90;  

COD ID: 4510814
CIF file Formula: - C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -
Comments: Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene ACS Catalysis 4(6) (2014) 1850
Space group: P 21 21 21
Cell volume: 6207.2
Cell parameters: 11.5116; 13.6607; 39.4718; 90; 90; 90;  

COD ID: 4510835
CIF file Formula: - C11 H18 N O2 Rh -
Comments: Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer ACS Catalysis 2(2) (2012) 246
Space group: P 21 21 21
Cell volume: 1147.53
Cell parameters: 10.3322; 10.5059; 10.5715; 90; 90; 90;  

COD ID: 4510836
CIF file Formula: - C35 H38 P Rh -
Comments: Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer ACS Catalysis 2(2) (2012) 246
Space group: C 1 2/c 1
Cell volume: 5713.4
Cell parameters: 32.151; 9.3724; 19.869; 90; 107.394; 90;  

COD ID: 4510837
CIF file Formula: - C14 H22 Cl2 N2 Ru -
Comments: Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand ACS Catalysis 2(10) (2012) 2087
Space group: P 1 21/c 1
Cell volume: 3234.62
Cell parameters: 16.9808; 8.2512; 27.3173; 90; 122.317; 90;  

COD ID: 4510838
CIF file Formula: - C17 H22 Cl2 N2 Ru -
Comments: Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand ACS Catalysis 2(10) (2012) 2087
Space group: P b c a
Cell volume: 3374.68
Cell parameters: 14.9645; 14.1657; 15.9196; 90; 90; 90;  

COD ID: 4510839
CIF file Formula: - C13 H20 Cl2 N2 Ru -
Comments: Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand ACS Catalysis 2(10) (2012) 2087
Space group: C 1 c 1
Cell volume: 1516.83
Cell parameters: 12.1026; 11.1887; 11.2215; 90; 93.417; 90;  

COD ID: 4510942
CIF file Formula: - C30 H28 Br N3 Pd -
Comments: Sabater, Sara; Mata, Jose A.; Peris, Eduardo Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions ACS Catalysis 4(6) (2014) 2038
Space group: C 1 2/c 1
Cell volume: 5128
Cell parameters: 35.108; 12.2811; 18.782; 90; 140.71; 90;  

COD ID: 4511609
CIF file Formula: - C32 H34 Br0.56 Cl0.44 N5 O Ru -
Comments: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis 4(8) (2014) 2667
Space group: C 1 c 1
Cell volume: 3407.43
Cell parameters: 14.6916; 19.3357; 12.8728; 90; 111.282; 90;  

COD ID: 4511610
CIF file Formula: - C34 H37 B F4 N6 O Ru -
Comments: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis 4(8) (2014) 2667
Space group: P -1
Cell volume: 1977.96
Cell parameters: 10.2126; 12.2383; 16.6522; 96.359; 100.516; 101.949;  

COD ID: 4511611
CIF file Formula: - C35 H41 Br N6 O2 Ru -
Comments: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis 4(8) (2014) 2667
Space group: C 1 2/c 1
Cell volume: 7240.2
Cell parameters: 21.7318; 11.4791; 30.4353; 90; 107.522; 90;  

COD ID: 4511612
CIF file Formula: - C40 H49 Br N6 O Ru -
Comments: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis 4(8) (2014) 2667
Space group: P 1 21/n 1
Cell volume: 4158.6
Cell parameters: 13.7607; 17.3199; 18.3721; 90; 108.243; 90;  

COD ID: 4511613
CIF file Formula: - C40 H43 Br N6 O2 Ru -
Comments: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis 4(8) (2014) 2667
Space group: P 1 21/c 1
Cell volume: 3764.1
Cell parameters: 18.358; 14.6031; 14.0683; 90; 93.583; 90;  

COD ID: 4511614
CIF file Formula: - C60 H67 Br0.65 Cl0.35 N7 O P Ru -
Comments: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis 4(8) (2014) 2667
Space group: P -1
Cell volume: 2909.49
Cell parameters: 10.6089; 15.4581; 18.9255; 70.365; 88.255; 84.453;  

COD ID: 4511615
CIF file Formula: - C21 H29 N2 O3 P Ru -
Comments: Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water ACS Catalysis 4(8) (2014) 2649
Space group: P -1
Cell volume: 2192.79
Cell parameters: 8.6291; 15.0143; 16.9802; 88.131; 88.041; 86.19;  

COD ID: 4511628
CIF file Formula: - C31 H34 N O6 P Pd S -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P 1 21/c 1
Cell volume: 3217.8
Cell parameters: 15.784; 10.3015; 19.7923; 90; 90.938; 90;  

COD ID: 4511629
CIF file Formula: - C26 H26 N O5 P Pd S -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P 1 21/c 1
Cell volume: 2393.6
Cell parameters: 9.5988; 8.6559; 29.9833; 90; 106.094; 90;  

COD ID: 4511630
CIF file Formula: - C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P -1
Cell volume: 1303.85
Cell parameters: 9.6353; 10.7338; 13.7048; 103.819; 93.508; 106.9;  

COD ID: 4511631
CIF file Formula: - C27 H28 N O6 P Pd S -
Comments: Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis 4(8) (2014) 2672
Space group: P 1 21/c 1
Cell volume: 2622.2
Cell parameters: 13.7944; 9.9669; 22.1792; 90; 120.694; 90;  

COD ID: 4511643
CIF file Formula: - C13 H10 Br F3 O2 -
Comments: Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D. Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis ACS Catalysis 4(8) (2014) 2696
Space group: P 21 21 21
Cell volume: 1280.3
Cell parameters: 6.384; 11.747; 17.072; 90; 90; 90;  

COD ID: 4511644
CIF file Formula: - C14 H12 Br F3 O2 -
Comments: Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D. Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis ACS Catalysis 4(8) (2014) 2696
Space group: P 1 21 1
Cell volume: 712.7
Cell parameters: 8.1604; 9.5399; 9.6845; 90; 109.041; 90;  

COD ID: 4511645
CIF file Formula: - C13 H14 Br F3 O2 -
Comments: Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D. Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis ACS Catalysis 4(8) (2014) 2696
Space group: P 21 21 21
Cell volume: 1387.2
Cell parameters: 6.043; 7.8416; 29.273; 90; 90; 90;  

COD ID: 4511667
CIF file Formula: - C19 H12 I N O -
Comments: Gao, De-Wei; Gu, Qing; You, Shu-Li Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution ACS Catalysis 4(8) (2014) 2741
Space group: P 1 21 1
Cell volume: 784.2
Cell parameters: 8.2619; 7.6594; 12.583; 90; 99.974; 90;  

COD ID: 4511670
CIF file Formula: - C56 H70 Cl10 N4 Ru2 -
Comments: Gonell, Sergio; Peris, Eduardo Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines ACS Catalysis 4(8) (2014) 2811
Space group: C 1 2/c 1
Cell volume: 6002
Cell parameters: 23.4392; 12.8809; 20.9819; 90; 108.654; 90;  

COD ID: 4511774
CIF file Formula: - C22 H42 Cl N Ni P2 -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 21 21 21
Cell volume: 2470.6
Cell parameters: 11.354; 14.53; 14.976; 90; 90; 90;  

COD ID: 4511775
CIF file Formula: - C36 H56 N2 Ni P2 -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 42 b c
Cell volume: 6919.6
Cell parameters: 18.924; 18.924; 19.322; 90; 90; 90;  

COD ID: 4511776
CIF file Formula: - C36 H55 N Ni O P2 -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 42 b c
Cell volume: 6904.9
Cell parameters: 18.927; 18.927; 19.275; 90; 90; 90;  

COD ID: 4511777
CIF file Formula: - C36 H31 N Ni O P2 -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 1 n 1
Cell volume: 2891.2
Cell parameters: 14.1636; 11.3071; 18.0536; 90; 90.216; 90;  

COD ID: 4511778
CIF file Formula: - C42 H61 N Ni P2 S -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 1 21/n 1
Cell volume: 3815
Cell parameters: 11.218; 17.049; 20.543; 90; 103.831; 90;  

COD ID: 4511779
CIF file Formula: - C36 H31 N Ni P2 S -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P c a 21
Cell volume: 3015
Cell parameters: 10.107; 17.521; 17.023; 90; 90; 90;  

COD ID: 4511780
CIF file Formula: - C30 H46.8 Cl0.2 N Ni O0.8 P2 -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 1 21/c 1
Cell volume: 2900.2
Cell parameters: 10.3866; 18.0201; 15.5109; 90; 92.576; 90;  

COD ID: 4511781
CIF file Formula: - C30 H51 N Ni P2 S -
Comments: Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis 4(9) (2014) 2941
Space group: P 1 21/c 1
Cell volume: 2976.4
Cell parameters: 10.2239; 18.5337; 15.7104; 90; 91.024; 90;  

COD ID: 4511782
CIF file Formula: - C32 H57 B2 F8 N3 Ni P2 -
Comments: Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines ACS Catalysis 4(9) (2014) 2951
Space group: P 1 21/c 1
Cell volume: 3809
Cell parameters: 12.2559; 15.9677; 19.9262; 90; 102.37; 90;  

COD ID: 4511783
CIF file Formula: - C26 H53 B2 F8 N5 Ni P2 -
Comments: Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines ACS Catalysis 4(9) (2014) 2951
Space group: P 1 21 1
Cell volume: 1957.9
Cell parameters: 10.6454; 10.5867; 17.3734; 90; 90.393; 90;  

COD ID: 4511784
CIF file Formula: - C148 H222 B3 F12 N14 Ni3 P12 -
Comments: Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines ACS Catalysis 4(9) (2014) 2951
Space group: P 1 2/n 1
Cell volume: 7453.9
Cell parameters: 14.8297; 11.6379; 43.244; 90; 92.88; 90;  

COD ID: 4511901
CIF file Formula: - C32 H40 Cl Ir P2 -
Comments: Bézier, David; Brookhart, Maurice Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes ACS Catalysis 4(10) (2014) 3411
Space group: P n a 21
Cell volume: 2948.64
Cell parameters: 15.2261; 11.1905; 17.3055; 90; 90; 90;  

COD ID: 4511978
CIF file Formula: - C46 H74 O P4 Pd2 S4 -
Comments: Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis 4(10) (2014) 3605
Space group: P 1 21/c 1
Cell volume: 5131.5
Cell parameters: 18.0562; 14.0451; 22.0832; 90; 113.61; 90;  

COD ID: 4511979
CIF file Formula: - C75 H138 Cl4 N2 P4 Pd2 S4 -
Comments: Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis 4(10) (2014) 3605
Space group: P -1
Cell volume: 4307.4
Cell parameters: 10.2156; 16.2747; 26.6821; 91.603; 90.239; 103.725;  

COD ID: 4511980
CIF file Formula: - C18 H16 O6 -
Comments: Mbofana, Curren T.; Miller, Scott J. Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives ACS Catalysis 4(10) (2014) 3671
Space group: P -1
Cell volume: 1556.57
Cell parameters: 10.209; 11.5382; 15.259; 72.37; 89.09; 66.272;  

COD ID: 4511983
CIF file Formula: - C59 H60 F3 O4 P4 Rh S -
Comments: Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts ACS Catalysis (2014) 140903144432009
Space group: P 1 21/n 1
Cell volume: 2530.23
Cell parameters: 12.7463; 15.5086; 13.5727; 90; 109.429; 90;  

COD ID: 4511984
CIF file Formula: - C65.5 H70.875 F3 N2 O9.125 P4 Rh S -
Comments: Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts ACS Catalysis (2014) 140903144432009
Space group: P 1 21/c 1
Cell volume: 25167
Cell parameters: 12.4663; 47.636; 42.394; 90; 91.499; 90;  

COD ID: 4511985
CIF file Formula: - C55 H54 F3 N2 O3 P4 Rh S -
Comments: Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts ACS Catalysis (2014) 140903144432009
Space group: P -1
Cell volume: 2480.1
Cell parameters: 11.1175; 13.2349; 18.044; 93.743; 95.848; 109.218;  

COD ID: 4511995
CIF file Formula: - C16 H39 N4 O5 P -
Comments: Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C. A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation ACS Catalysis 4(10) (2014) 3755
Space group: P -1
Cell volume: 1064.6
Cell parameters: 8.8946; 9.599; 14.595; 105.46; 94.446; 114.78;  

COD ID: 4511996
CIF file Formula: - C16 H35 N4 O2 P -
Comments: Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C. A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation ACS Catalysis 4(10) (2014) 3755
Space group: P -1
Cell volume: 958.49
Cell parameters: 9.492; 10.0652; 11.6878; 72.135; 84.493; 64.509;  

COD ID: 4512057
CIF file Formula: - C16 H22 O6 -
Comments: Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S. Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols ACS Catalysis 4(11) (2014) 3881
Space group: P 1 21 1
Cell volume: 764.251
Cell parameters: 9.64383; 5.51183; 14.44803; 90; 95.6537; 90;  

COD ID: 4512058
CIF file Formula: - C35 H54 O2 -
Comments: Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S. Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols ACS Catalysis 4(11) (2014) 3881
Space group: P 1 21 1
Cell volume: 1505.64
Cell parameters: 12.0622; 9.18339; 13.6306; 90; 94.3; 90;  

COD ID: 4512105
CIF file Formula: - C44 H31 Cl Ir N2 O2 P -
Comments: Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect ACS Catalysis 4(11) (2014) 3910
Space group: P -1
Cell volume: 2668.8
Cell parameters: 11.7801; 14.2655; 17.1787; 88.278; 80.64; 69.608;  

COD ID: 4512106
CIF file Formula: - C38 H43 Cl Ir N2 O2 P -
Comments: Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect ACS Catalysis 4(11) (2014) 3910
Space group: P 1 21/c 1
Cell volume: 3496.4
Cell parameters: 9.2237; 23.848; 16.3363; 90; 103.348; 90;  

COD ID: 4512210
CIF file Formula: - C46 H51 B Cl6 Cu N7 O -
Comments: Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J. Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles ACS Catalysis 4(11) (2014) 4215
Space group: P -1
Cell volume: 2434.7
Cell parameters: 11.8005; 12.088; 18.1433; 101.21; 93.076; 105.213;  

COD ID: 4512211
CIF file Formula: - C16.5 H7 B Br9 Cl Cu N7 S -
Comments: Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J. Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles ACS Catalysis 4(11) (2014) 4215
Space group: P -1
Cell volume: 2928.2
Cell parameters: 11.1605; 13.8447; 19.6313; 83.707; 80.497; 79.114;  

COD ID: 4512212
CIF file Formula: - C17 H17 N O4 -
Comments: Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J. Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles ACS Catalysis 4(11) (2014) 4215
Space group: P -1
Cell volume: 741.04
Cell parameters: 7.9337; 8.6976; 11.8982; 110.549; 102.752; 93.549;  

COD ID: 4512224
CIF file Formula: - C34 H46 Cl N4 Rh -
Comments: Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation ACS Catalysis 4(12) (2014) 4244
Space group: P 1 21/c 1
Cell volume: 6508.2
Cell parameters: 24.481; 13.201; 20.184; 90; 93.847; 90;  

COD ID: 4512225
CIF file Formula: - C39 H51 Cl N5 Rh -
Comments: Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation ACS Catalysis 4(12) (2014) 4244
Space group: P 1 21/n 1
Cell volume: 3718.4
Cell parameters: 15.579; 13.803; 18.6728; 90; 112.173; 90;  

COD ID: 4512242
CIF file Formula: - C26 H26 N3 O7 S2 -
Comments: Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand ACS Catalysis 4(12) (2014) 4304
Space group: P 1 21 1
Cell volume: 2616.8
Cell parameters: 10.08; 20.648; 13.183; 90; 107.503; 90;  

COD ID: 4512275
CIF file Formula: - C15 H11 Cl O -
Comments: Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis 4(12) (2014) 4485
Space group: P 1 21/c 1
Cell volume: 1195.8
Cell parameters: 5.8543; 22.954; 8.9509; 90; 96.206; 90;  

COD ID: 4512276
CIF file Formula: - C22 H18 O -
Comments: Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis 4(12) (2014) 4485
Space group: P 1 21/n 1
Cell volume: 1601.47
Cell parameters: 5.8215; 8.3087; 33.2148; 90; 94.567; 90;  

COD ID: 4512277
CIF file Formula: - C17 H16 O -
Comments: Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis 4(12) (2014) 4485
Space group: P 1 21/c 1
Cell volume: 1297.82
Cell parameters: 12.7973; 6.1187; 16.9311; 90; 101.782; 90;  

COD ID: 4512454
CIF file Formula: - C17 H26 O4 -
Comments: Weiss, Marcel; Peters, René Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant ACS Catalysis 5(1) (2015) 310
Space group: P 1 21/c 1
Cell volume: 3196.7
Cell parameters: 5.4051; 35.529; 16.8799; 90; 99.541; 90;  

COD ID: 4512455
CIF file Formula: - C23 H27 N O -
Comments: Weiss, Marcel; Peters, René Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant ACS Catalysis 5(1) (2015) 310
Space group: P 1 21 1
Cell volume: 941.19
Cell parameters: 5.1067; 11.928; 15.558; 90; 96.711; 90;  

COD ID: 4512456
CIF file Formula: - C22 H19 F4 N O4 -
Comments: Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M. Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent ACS Catalysis 5(1) (2015) 336
Space group: P 21 21 21
Cell volume: 4032
Cell parameters: 12.878; 15.68; 19.97; 90; 90; 90;  

COD ID: 4512457
CIF file Formula: - C22 H27.5 Cl2 N3.5 Ni O8 P -
Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356
Space group: C 1 2/c 1
Cell volume: 5271.1
Cell parameters: 28.443; 8.4569; 22.9631; 90; 107.39; 90;  

COD ID: 4512458
CIF file Formula: - C15 H25 Cl2 N3 Ni O8 S -
Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356
Space group: P -1
Cell volume: 1022.76
Cell parameters: 8.7289; 8.7999; 13.9708; 93.47; 106.608; 93.681;  

COD ID: 4512459
CIF file Formula: - C30 H42 Cl4 N6 Ni2 O8 S2 -
Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356
Space group: P -1
Cell volume: 1901.6
Cell parameters: 8.0156; 12.2115; 19.7215; 91.373; 99.117; 93.388;  

COD ID: 4512460
CIF file Formula: - C24 H36 Cl2 N3 Ni O9 P -
Comments: Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis 5(1) (2015) 356
Space group: P -1
Cell volume: 1514.52
Cell parameters: 9.3883; 13.0308; 13.093; 79.943; 89.364; 73.953;  

COD ID: 4512489
CIF file Formula: - C20 H16 Br Fe N5 -
Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis 5(1) (2015) 411
Space group: C 1 2/c 1
Cell volume: 3561
Cell parameters: 16.847; 13.0275; 16.3223; 90; 96.25; 90;  

COD ID: 4512490
CIF file Formula: - C25 H24 F3 Fe N5 O4 S -
Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis 5(1) (2015) 411
Space group: P 1
Cell volume: 1264.06
Cell parameters: 8.4756; 8.8071; 18.6806; 99.732; 90.796; 112.598;  

COD ID: 4512491
CIF file Formula: - C23 H19 F6 Fe N5 O6 S2 -
Comments: Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis 5(1) (2015) 411
Space group: P -1
Cell volume: 1347.8
Cell parameters: 10.7036; 12.1278; 12.2733; 66.351; 73.133; 69.747;  

COD ID: 4512510
CIF file Formula: - C40 H36 Cl2 F3 N3 O7 P Re S -
Comments: Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis 5(2) (2015) 511
Space group: P 1 21/n 1
Cell volume: 4043.5
Cell parameters: 12.089; 9.0476; 36.982; 90; 91.534; 90;  

COD ID: 4512511
CIF file Formula: - C55 H46 F3 N2 O7 P2 Re S -
Comments: Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis 5(2) (2015) 511
Space group: P 21 21 21
Cell volume: 4894.6
Cell parameters: 11.209; 11.6194; 37.5809; 90; 90; 90;  

COD ID: 4512512
CIF file Formula: - C37 H56 Co N3 Si -
Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622
Space group: P 1 21/n 1
Cell volume: 3571.93
Cell parameters: 17.8016; 12.0498; 18.7953; 90; 117.63; 90;  

COD ID: 4512513
CIF file Formula: - C31 H45 Co N2 -
Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622
Space group: C 1 2/c 1
Cell volume: 2813.2
Cell parameters: 16.1764; 9.2233; 18.8751; 90; 92.623; 90;  

COD ID: 4512514
CIF file Formula: - C38 H57 Co N2 -
Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622
Space group: C 1 2/c 1
Cell volume: 6928
Cell parameters: 38.978; 10.046; 18.259; 90; 104.3; 90;  

COD ID: 4512515
CIF file Formula: - C19 H22 Co N3 Si -
Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622
Space group: P 1 21/n 1
Cell volume: 3540
Cell parameters: 11.086; 19.096; 16.774; 90; 94.52; 90;  

COD ID: 4512516
CIF file Formula: - C14 H21 Cl Co N2 Si -
Comments: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis 5(2) (2015) 622
Space group: R -3 :H
Cell volume: 7936.3
Cell parameters: 31.103; 31.103; 9.4729; 90; 90; 120;  

COD ID: 4512529
CIF file Formula: - C45 H40 F4 N3 O P Ru -
Comments: McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K. Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage ACS Catalysis 5(2) (2015) 776
Space group: P 21 21 21
Cell volume: 3965.5
Cell parameters: 13.869; 16.834; 16.985; 90; 90; 90;  

COD ID: 4512584
CIF file Formula: - C12 H20 Cl N3 Ni -
Comments: Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis 5(2) (2015) 1164
Space group: P c a 21
Cell volume: 2736
Cell parameters: 16.1973; 9.2551; 18.251; 90; 90; 90;  

COD ID: 4512585
CIF file Formula: - C20 H25 N3 Ni -
Comments: Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis 5(2) (2015) 1164
Space group: P 1 21/n 1
Cell volume: 1814.4
Cell parameters: 9.7694; 14.6639; 12.8939; 90; 100.806; 90;  

COD ID: 4512586
CIF file Formula: - C144 H154 B2 Fe3 O13 P8 -
Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254
Space group: P -1
Cell volume: 6558.1
Cell parameters: 14.7034; 15.3502; 30.5317; 81.607; 77.192; 79.041;  

COD ID: 4512587
CIF file Formula: - C42 H44 Fe P4 -
Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254
Space group: P -1
Cell volume: 1786.33
Cell parameters: 11.3961; 11.8042; 14.9611; 88.014; 81.462; 63.904;  

COD ID: 4512588
CIF file Formula: - C49 H58 B F4 Fe N P4 -
Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254
Space group: P -1
Cell volume: 2325.12
Cell parameters: 11.6311; 12.2422; 18.0737; 104.224; 98.681; 106.392;  

COD ID: 4512589
CIF file Formula: - C66 H63 B Fe P4 -
Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254
Space group: P -1
Cell volume: 3113.4
Cell parameters: 12.4918; 13.5351; 19.2058; 92.091; 105.612; 94.273;  

COD ID: 4512590
CIF file Formula: - C103 H117 B4 F16 Fe2 N7 P8 -
Comments: Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis 5(2) (2015) 1254
Space group: C 1 2/c 1
Cell volume: 10001.7
Cell parameters: 33.6116; 14.8734; 20.7957; 90; 105.833; 90;  

COD ID: 4512815
CIF file Formula: - C58 H58 B2 F8 N2 Ni P4 -
Comments: Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis 5(4) (2015) 2116
Space group: P 1 21/n 1
Cell volume: 2709.5
Cell parameters: 9.2602; 20.7179; 14.2353; 90; 97.2; 90;  

COD ID: 4512816
CIF file Formula: - C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -
Comments: Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis 5(4) (2015) 2116
Space group: P -1
Cell volume: 2460.92
Cell parameters: 10.3197; 13.2465; 19.7249; 94.91; 101.046; 109.554;  

COD ID: 4512822
CIF file Formula: - C31 H32 B2 N2 O2 -
Comments: Guo, Xi; Nelson, Amanda K.; Slebodnick, Carla; Santos, Webster L. Regio- and Chemoselective Diboration of Allenes with Unsymmetrical Diboron: Formation of Vinyl and Allyl Boronic Acid Derivatives ACS Catalysis (2015) 2172
Space group: P -1
Cell volume: 1347.8
Cell parameters: 9.5673; 12.0514; 12.4802; 85.896; 77.575; 73.572;  

COD ID: 4512852
CIF file Formula: - C58 H81 F12 Fe2 N9 O18 S4 -
Comments: Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P. EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes ACS Catalysis 5(5) (2015) 2702
Space group: P 21 21 21
Cell volume: 14608
Cell parameters: 16.9742; 17.1155; 50.282; 90; 90; 90;  

COD ID: 4512854
CIF file Formula: - C31 H27 F3 N2 O4 S -
Comments: Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis 5(4) (2015) 2692
Space group: P -1
Cell volume: 1470.6
Cell parameters: 9.4555; 12.671; 13.141; 89.372; 83.024; 70.301;  

COD ID: 4512855
CIF file Formula: - C45 H31 F3 N2 O3 S -
Comments: Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis 5(4) (2015) 2692
Space group: P -1
Cell volume: 1823.39
Cell parameters: 10.6172; 12.7911; 14.6372; 102.793; 106.868; 96.17;  

COD ID: 4512856
CIF file Formula: - C12 H10 N2 Ni S2 -
Comments: Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis 5(3) (2015) 1397
Space group: P 1 21/c 1
Cell volume: 583.3
Cell parameters: 12.301; 5.883; 8.098; 90; 95.547; 90;  

COD ID: 4512857
CIF file Formula: - C20 H36 N2 Ni O4 S6 -
Comments: Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis 5(3) (2015) 1397
Space group: P -1
Cell volume: 1438.4
Cell parameters: 8.3237; 11.0567; 15.928; 92.197; 99.883; 94.145;  

COD ID: 4512930
CIF file Formula: - C10 H17 N O3 -
Comments: Bae, Han Yong; Song, Choong Eui Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes ACS Catalysis 5(6) (2015) 3613
Space group: P 21 21 21
Cell volume: 2223.1
Cell parameters: 9.8502; 13.6853; 16.4912; 90; 90; 90;  

COD ID: 4512945
CIF file Formula: - C36 H52 Br Co N2 O2 -
Comments: North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling ACS Catalysis 5(6) (2015) 3398
Space group: P 1
Cell volume: 1723.83
Cell parameters: 10.795; 12.6416; 14.6957; 65.979; 89.9734; 71.994;  

COD ID: 4512946
CIF file Formula: - C16 H12 F3 N O2 -
Comments: Albaladejo, María José; Alonso, Francisco; González-Soria, María José Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones ACS Catalysis 5(6) (2015) 3446
Space group: P -1
Cell volume: 723.3
Cell parameters: 8.167; 8.306; 10.825; 91.64; 99.308; 92.741;  

COD ID: 4512947
CIF file Formula: - Bi4 Na20.72 O213.36 W36 Zn8 -
Comments: Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis 5(6) (2015) 3336
Space group: P 1 21/n 1
Cell volume: 4893
Cell parameters: 13.234; 17.661; 20.966; 90; 93.12; 90;  

COD ID: 4512948
CIF file Formula: - Bi2 Na4 O98.55 W18 Zn6 -
Comments: Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis 5(6) (2015) 3336
Space group: P n n m
Cell volume: 4604.8
Cell parameters: 16.187; 19.43; 14.641; 90; 90; 90;  

COD ID: 4513027
CIF file Formula: - C23 H24 Br N O -
Comments: Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles ACS Catalysis 5(6) (2015) 3700
Space group: P 21 21 21
Cell volume: 1903.9
Cell parameters: 7.2425; 15.4541; 17.01; 90; 90; 90;  

COD ID: 4513028
CIF file Formula: - C15 H B Br3 F18 N6 Tl -
Comments: Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis 5(6) (2015) 3726
Space group: P -1
Cell volume: 1303.49
Cell parameters: 9.4814; 10.765; 13.9827; 111.406; 92.343; 99.301;  

COD ID: 4513029
CIF file Formula: - C17 H4 B Br3 Cu F18 N7 -
Comments: Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis 5(6) (2015) 3726
Space group: C 1 2/c 1
Cell volume: 5968.8
Cell parameters: 21.9569; 16.6067; 17.0174; 90; 105.863; 90;  

COD ID: 4513030
CIF file Formula: - C19 H9 Ag B Br3 F18 N6 O -
Comments: Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis 5(6) (2015) 3726
Space group: P -1
Cell volume: 1514
Cell parameters: 9.5396; 12.6988; 12.9452; 100.867; 94.371; 98.592;  

COD ID: 4513043
CIF file Formula: - C24 H20 N4 O5 Ru S -
Comments: Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G. Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex ACS Catalysis 5(7) (2015) 3966
Space group: P -1
Cell volume: 1187.17
Cell parameters: 8.7507; 10.3497; 14.1618; 79.212; 73.228; 77.234;  

COD ID: 4513044
CIF file Formula: - C45 H57 Cl F N2 O3 P Ru -
Comments: Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis 5(7) (2015) 3932
Space group: P -1
Cell volume: 2082.5
Cell parameters: 9.25; 10.543; 21.668; 84.919; 89.766; 81.66;  

COD ID: 4513045
CIF file Formula: - C45 H57 F2 N2 O3 P Ru -
Comments: Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis 5(7) (2015) 3932
Space group: P -1
Cell volume: 2062.6
Cell parameters: 9.123; 10.569; 21.751; 94.901; 90.209; 99.166;  

COD ID: 4513186
CIF file Formula: - C49 H47 Cl F6 N2 P2 Ru -
Comments: Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis 5(7) (2015) 4143
Space group: P -1
Cell volume: 2078.7
Cell parameters: 11.185; 12.2337; 15.712; 87.763; 85.343; 75.988;  

COD ID: 4513187
CIF file Formula: - C45 H47 Cl F6 N2 P2 Ru -
Comments: Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis 5(7) (2015) 4143
Space group: C 1 c 1
Cell volume: 4169.4
Cell parameters: 18.524; 15.304; 14.862; 90; 98.269; 90;  

COD ID: 4513215
CIF file Formula: - C32 H28 B Fe P -
Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300
Space group: P 21 21 21
Cell volume: 2519.91
Cell parameters: 7.8373; 11.1807; 28.7574; 90; 90; 90;  

COD ID: 4513216
CIF file Formula: - C20 H25 N -
Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300
Space group: P 1 21 1
Cell volume: 3336.61
Cell parameters: 8.4925; 18.0565; 21.7726; 90; 92.034; 90;  

COD ID: 4513217
CIF file Formula: - C18 H21 N -
Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300
Space group: P -1
Cell volume: 713.05
Cell parameters: 7.6079; 9.9255; 10.7036; 113.746; 100.964; 95.416;  

COD ID: 4513218
CIF file Formula: - C25 H29 Fe N O -
Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300
Space group: P 21 21 21
Cell volume: 2090.14
Cell parameters: 10.843; 12.6988; 15.1797; 90; 90; 90;  

COD ID: 4513219
CIF file Formula: - C43 H38 N O3.5 P Pd S -
Comments: Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis 5(7) (2015) 4300
Space group: P 41 21 2
Cell volume: 7826.2
Cell parameters: 14.5165; 14.5165; 37.1387; 90; 90; 90;  

COD ID: 4513383
CIF file Formula: - C72 H78 N4 O11 Ti2 -
Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673
Space group: P 43 21 2
Cell volume: 6798
Cell parameters: 12.3687; 12.3687; 44.436; 90; 90; 90;  

COD ID: 4513384
CIF file Formula: - C76 H78 N4 O11 Ti2 -
Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673
Space group: P 31 2 1
Cell volume: 12900.9
Cell parameters: 19.0457; 19.0457; 41.0671; 90; 90; 120;  

COD ID: 4513385
CIF file Formula: - C65 H61 Cl3 N4 O6 Ti2 -
Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673
Space group: P 1 21 1
Cell volume: 2944.4
Cell parameters: 11.5315; 19.176; 13.4627; 90; 98.481; 90;  

COD ID: 4513386
CIF file Formula: - C68 H66 Br4 N4 O7 Ti2 -
Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673
Space group: P 43 21 2
Cell volume: 6879.5
Cell parameters: 12.2324; 12.2324; 45.9762; 90; 90; 90;  

COD ID: 4513387
CIF file Formula: - C64 H56 Br4 N4 O6 Ti2 -
Comments: Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis 5(8) (2015) 4673
Space group: P 1
Cell volume: 3002.56
Cell parameters: 13.8302; 15.4438; 16.7517; 108.353; 90.647; 116.089;  

COD ID: 4513439
CIF file Formula: - C54 H47 N4 O7 -
Comments: Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis 5(8) (2015) 4842
Space group: P 21 21 21
Cell volume: 5809.1
Cell parameters: 12.3766; 16.424; 28.578; 90; 90; 90;  

COD ID: 4513440
CIF file Formula: - C22 H22 N2 O3 -
Comments: Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis 5(8) (2015) 4842
Space group: P 1 21 1
Cell volume: 895
Cell parameters: 10.202; 7.487; 11.933; 90; 100.922; 90;  

COD ID: 4513441
CIF file Formula: - C22 H16 F3 N O3 S -
Comments: Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis 5(8) (2015) 4837
Space group: C 1 2/c 1
Cell volume: 7790.1
Cell parameters: 40.887; 9.2404; 27.6197; 90; 131.709; 90;  

COD ID: 4513442
CIF file Formula: - C21 H16 B F4 N -
Comments: Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis 5(8) (2015) 4837
Space group: P 21 21 21
Cell volume: 1717.81
Cell parameters: 6.1068; 15.2343; 18.4646; 90; 90; 90;  

COD ID: 4513443
CIF file Formula: - C21 H16 F6 N Sb -
Comments: Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis 5(8) (2015) 4837
Space group: C 1 2/c 1
Cell volume: 3933.7
Cell parameters: 13.0833; 9.1095; 33.015; 90; 91.371; 90;  

COD ID: 4513454
CIF file Formula: - C15 H13 Br N2 -
Comments: Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines ACS Catalysis 5(9) (2015) 5026
Space group: P 41
Cell volume: 1383.59
Cell parameters: 15.9607; 15.9607; 5.4313; 90; 90; 90;  

COD ID: 4513487
CIF file Formula: - C38 H46 Au N3 O2 -
Comments: Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand ACS Catalysis 5(9) (2015) 5135
Space group: P 1 21/n 1
Cell volume: 7081.8
Cell parameters: 9.1636; 36.3601; 21.4472; 90; 97.684; 90;  

COD ID: 4513497
CIF file Formula: - C39 H14 Cl6 Cu F10 N5 O2 -
Comments: Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis 5(9) (2015) 5145
Space group: P -1
Cell volume: 1941.9
Cell parameters: 10.2256; 13.2327; 15.2136; 75.791; 82.911; 77.348;  

COD ID: 4513498
CIF file Formula: - C39 H12 Cl4 Cu F15 N4 -
Comments: Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis 5(9) (2015) 5145
Space group: P 1 21/c 1
Cell volume: 3640.78
Cell parameters: 13.6323; 13.187; 21.0645; 90; 105.96; 90;  

COD ID: 4513610
CIF file Formula: - C20 H20 Cl N O4 -
Comments: Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis 5(10) (2015) 6016
Space group: P 21 21 21
Cell volume: 1908.2
Cell parameters: 8.1602; 11.357; 20.59; 90; 90; 90;  

COD ID: 4513611
CIF file Formula: - C25 H23 N O3 -
Comments: Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis 5(10) (2015) 6016
Space group: P 1 21 1
Cell volume: 1047.1
Cell parameters: 6.0364; 17.033; 10.4225; 90; 102.271; 90;  

COD ID: 4513656
CIF file Formula: - C29 H27 N O6 S -
Comments: Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis 5(10) (2015) 6052
Space group: C 1 2 1
Cell volume: 2574.7
Cell parameters: 27.301; 8.7461; 10.8469; 90; 96.239; 90;  

COD ID: 4513657
CIF file Formula: - C29 H27 N O6 S -
Comments: Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis 5(10) (2015) 6052
Space group: P 21 21 21
Cell volume: 2666.9
Cell parameters: 12.1813; 12.9222; 16.9425; 90; 90; 90;  

COD ID: 4513663
CIF file Formula: - C32 H42 Ag N2 -
Comments: Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis 5(11) (2015) 6732
Space group: C 1 2/c 1
Cell volume: 2940
Cell parameters: 16.043; 6.7774; 27.121; 90; 94.443; 90;  

COD ID: 4513664
CIF file Formula: - C32 H40 Ag F2 N3 O3 -
Comments: Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis 5(11) (2015) 6732
Space group: C 1 2/c 1
Cell volume: 11872
Cell parameters: 30.342; 14.1754; 27.882; 90; 98.13; 90;  

COD ID: 4513677
CIF file Formula: - C25 H28 Cr N O4 P -
Comments: Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis 5(12) (2015) 7095
Space group: P 21 21 21
Cell volume: 4964.3
Cell parameters: 10.0194; 14.8755; 33.308; 90; 90; 90;  

COD ID: 4513678
CIF file Formula: - C29 H36 Cr N O4 P -
Comments: Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis 5(12) (2015) 7095
Space group: P 1 21/n 1
Cell volume: 2822.71
Cell parameters: 11.79138; 14.69577; 16.3394; 90; 94.4771; 90;  

COD ID: 4513679
CIF file Formula: - C32 H38 Cl3 N P2 Pd S -
Comments: Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis 5(10) (2015) 5932
Space group: P b c a
Cell volume: 6854
Cell parameters: 11.77; 16.605; 35.069; 90; 90; 90;  

COD ID: 4513680
CIF file Formula: - C31 H36 Cl N O P2 Pd -
Comments: Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis 5(10) (2015) 5932
Space group: C 1 c 1
Cell volume: 2983.8
Cell parameters: 12.1032; 15.8942; 16.1513; 90; 106.192; 90;  

COD ID: 4513735
CIF file Formula: - C29 H32 N2 O2 -
Comments: Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes ACS Catalysis 6(1) (2016) 186
Space group: P 1 21/n 1
Cell volume: 2584.5
Cell parameters: 8.6895; 9.8563; 30.266; 90; 94.399; 90;  

COD ID: 4513736
CIF file Formula: - C23 H20 N2 O -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/n 1
Cell volume: 1720.9
Cell parameters: 12.864; 9.812; 13.652; 90; 92.938; 90;  

COD ID: 4513737
CIF file Formula: - C18 H11 F5 N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/c 1
Cell volume: 1569.4
Cell parameters: 11.342; 6.528; 21.294; 90; 95.503; 90;  

COD ID: 4513738
CIF file Formula: - C21 H21 N3 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P -1
Cell volume: 854.3
Cell parameters: 7.784; 10.507; 11.117; 106.154; 96.466; 97.82;  

COD ID: 4513739
CIF file Formula: - C25 H19 F N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/n 1
Cell volume: 1873.6
Cell parameters: 12.243; 7.246; 21.867; 90; 105.022; 90;  

COD ID: 4513740
CIF file Formula: - C18 H15 Br N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/n 1
Cell volume: 1537.7
Cell parameters: 10.221; 6.258; 24.249; 90; 97.531; 90;  

COD ID: 4513741
CIF file Formula: - C25.57 H21.14 Cl1.13 N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21 1
Cell volume: 1066.25
Cell parameters: 12.2626; 7.2788; 12.3394; 90; 104.51; 90;  

COD ID: 4513742
CIF file Formula: - C20 H18 N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 c 1
Cell volume: 764.5
Cell parameters: 5.238; 12.589; 11.597; 90; 91.334; 90;  

COD ID: 4513743
CIF file Formula: - C18 H14 Br N3 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/c 1
Cell volume: 1547.89
Cell parameters: 8.6369; 26.751; 6.9978; 90; 106.79; 90;  

COD ID: 4513744
CIF file Formula: - C19 H18 N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/c 1
Cell volume: 3097.1
Cell parameters: 9.882; 36.918; 8.62; 90; 99.99; 90;  

COD ID: 4513745
CIF file Formula: - C26 H22 N2 O3 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21/n 1
Cell volume: 1989.7
Cell parameters: 12.352; 7.361; 22.122; 90; 98.421; 90;  

COD ID: 4513746
CIF file Formula: - C20 H18 N2 O2 -
Comments: Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis 6(1) (2016) 451
Space group: P 1 21 1
Cell volume: 784.75
Cell parameters: 11.035; 6.9; 11.373; 90; 115.012; 90;  

COD ID: 4513747
CIF file Formula: - C22 H13 F5 N4 O2 -
Comments: Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex ACS Catalysis 6(2) (2016) 589
Space group: P 1 21 1
Cell volume: 1017.57
Cell parameters: 7.91984; 7.77745; 16.8551; 90; 101.445; 90;  

COD ID: 4513748
CIF file Formula: - C23.73 H18.45 Cl0.7 N O3.12 S -
Comments: Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis 6(1) (2016) 348
Space group: P 21 21 2
Cell volume: 2024.6
Cell parameters: 9.7227; 23.8357; 8.7364; 90; 90; 90;  

COD ID: 4513749
CIF file Formula: - C30 H25 N O3 S -
Comments: Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis 6(1) (2016) 348
Space group: P 1 21 1
Cell volume: 1215.78
Cell parameters: 5.9234; 17.5385; 11.7578; 90; 95.5438; 90;  

COD ID: 4513750
CIF file Formula: - C19 H16 N2 O S -
Comments: Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis 6(1) (2016) 348
Space group: P 21 21 21
Cell volume: 1568.31
Cell parameters: 9.8811; 10.2565; 15.4749; 90; 90; 90;  

COD ID: 4513751
CIF file Formula: - C22 H19 F N2 O -
Comments: Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis 6(1) (2015) 151-154
Space group: P b c a
Cell volume: 3440.1
Cell parameters: 13.5231; 13.1489; 19.3467; 90; 90; 90;  

COD ID: 4513752
CIF file Formula: - C12 H15 F N2 O -
Comments: Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis 6(1) (2015) 151-154
Space group: P 1 21 1
Cell volume: 559.66
Cell parameters: 7.6084; 6.4312; 11.7689; 90; 103.627; 90;  

COD ID: 4513753
CIF file Formula: - C13 H4 F5 N S -
Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369
Space group: P 1 21/c 1
Cell volume: 1102.24
Cell parameters: 14.407; 7.3079; 11.1275; 90; 109.808; 90;  

COD ID: 4513754
CIF file Formula: - C12 H6 F4 -
Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369
Space group: P 1 21/c 1
Cell volume: 916.72
Cell parameters: 12.8062; 5.84755; 12.6869; 90; 105.223; 90;  

COD ID: 4513755
CIF file Formula: - C13 H5 F7 -
Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369
Space group: P 21 21 21
Cell volume: 1061.22
Cell parameters: 5.92801; 7.5738; 23.6364; 90; 90; 90;  

COD ID: 4513756
CIF file Formula: - C12 H5 F5 -
Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369
Space group: C 2 2 21
Cell volume: 935.81
Cell parameters: 5.80768; 20.9642; 7.68611; 90; 90; 90;  

COD ID: 4513757
CIF file Formula: - C37 H40 Br N O3 -
Comments: He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides ACS Catalysis 6(2) (2016) 652
Space group: P 21 21 21
Cell volume: 3217.2
Cell parameters: 10.038; 15.921; 20.131; 90; 90; 90;  

COD ID: 4513758
CIF file Formula: - C22 H20 F3 N O -
Comments: Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives ACS Catalysis 6(2) (2016) 526
Space group: P b c a
Cell volume: 3682.8
Cell parameters: 19.0615; 9.325; 20.7194; 90; 90; 90;  

COD ID: 4513759
CIF file Formula: - C36 H44 Er N O Si2 -
Comments: Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis 6(1) (2016) 176
Space group: P 1 21/c 1
Cell volume: 3382.2
Cell parameters: 16.5508; 9.9149; 20.9543; 90; 100.391; 90;  

COD ID: 4513760
CIF file Formula: - C36 H44 Gd N O Si2 -
Comments: Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis 6(1) (2016) 176
Space group: P 1 21/c 1
Cell volume: 3425.8
Cell parameters: 16.5847; 9.9933; 21.0068; 90; 100.271; 90;  

COD ID: 4513761
CIF file Formula: - C36 H44 N Nd O Si2 -
Comments: Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis 6(1) (2016) 176
Space group: P 1 21/c 1
Cell volume: 3432.6
Cell parameters: 16.5572; 10.0221; 21.0296; 90; 100.37; 90;  

COD ID: 4513762
CIF file Formula: - C31 H44 N O Pr Si2 -
Comments: Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis 6(1) (2016) 176
Space group: P 1 21/c 1
Cell volume: 3220.3
Cell parameters: 14.6913; 11.3369; 19.4321; 90; 95.729; 90;  

COD ID: 4513763
CIF file Formula: - C19 H24 Cl F6 N3 P Rh -
Comments: Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis (2015) 709
Space group: P -1
Cell volume: 1178.97
Cell parameters: 7.8557; 11.6834; 13.6223; 103.37; 94.785; 101.888;  

COD ID: 4513764
CIF file Formula: - C20 H26 Cl F6 N3 O P Rh -
Comments: Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis (2015) 709
Space group: P c a 21
Cell volume: 2436
Cell parameters: 15.666; 7.2906; 21.328; 90; 90; 90;  

COD ID: 4513765
CIF file Formula: - C25 H29 Cl F6 N4 P Rh -
Comments: Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis (2015) 709
Space group: C 1 2/c 1
Cell volume: 5499.7
Cell parameters: 30.566; 8.1625; 22.272; 90; 98.215; 90;  


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