Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1517188 | CIF | C314 H589 N96 Ni32 O224 S11 | P -1 | 20.5225; 39.0486; 39.0923 119.844; 91.894; 102.976 | 26087.7 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517189 | CIF | C37 H35 Cl2 N12 Ni O10 | P 1 21/c 1 | 11.376; 20.675; 17.957 90; 99.139; 90 | 4170 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517190 | CIF | C145 H234 N48 Ni16 O96 S8 | C 1 c 1 | 44.0087; 20.5888; 26.8381 90; 119.998; 90 | 21060.1 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517191 | CIF | C161 H363 N48 Ni16 O146 S8 | P 1 21/n 1 | 20.5591; 35.0164; 39.44 90; 91.301; 90 | 28385.8 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517192 | CIF | C158 H190 N48 Ni16 O60 S7 | P 41 21 2 | 31.2; 31.2; 25.3435 90; 90; 90 | 24670.4 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517194 | CIF | C17 H17 N O | P 21 21 21 | 8.2349; 12.5658; 12.99 90; 90; 90 | 1344.18 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517195 | CIF | C16 H12 Br N O | P 1 | 6.3154; 8.1371; 14.3362 85.222; 78.52; 70.043 | 678.53 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517206 | CIF | C12 H11 Cl O2 | P 1 21/c 1 | 19.3677; 4.6908; 11.3487 90; 95.521; 90 | 1026.25 | Liu, Kun; Hovey, M. Todd; Scheidt, Karl A. A Cooperative N-Heterocyclic Carbene/Palladium Catalysis System. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4026-4031 |
| 1517207 | CIF | C80 H87 Co4 N17 O20 | P -1 | 10.871; 20.7504; 21.3627 64.984; 86.763; 79.326 | 4290 | Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J. Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation Chemical Science, 2014, 5, 4017 |
| 1517208 | CIF | C80 H97 Co4 N17 O29 | P -1 | 10.1905; 21.156; 22.015 115.123; 92.484; 99.306 | 4207.2 | Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J. Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation Chemical Science, 2014, 5, 4017 |
| 1517209 | CIF | C48 H54 F6 N4 O4 Zn2 | P 21 21 21 | 12.1107; 19.736; 20.335 90; 90; 90 | 4860.4 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517210 | CIF | C56 H66 F6 N4 O6 Zn2 | P 1 | 10.3348; 10.8803; 13.2532 113.176; 96.805; 91.083 | 1356.84 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517211 | CIF | C46 H50 F6 N4 O4 Zn2 | P 1 21 1 | 11.8212; 10.6057; 18.6077 90; 97.779; 90 | 2311.4 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517212 | CIF | C58 H60 F6 N4 O4 Zn2 | P 21 21 21 | 13.5462; 19.2935; 20.7468 90; 90; 90 | 5422.3 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517220 | CIF | C6 H12 Mn0.5 N O14 P3 Zn3 | P -1 | 9.4416; 9.5014; 9.8153 107.922; 91.314; 92.35 | 836.5 | Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material Chem. Sci., 2014, 5, 4237 |
| 1517239 | CIF | C40 H30 O6 | P 1 21/n 1 | 12.8251; 17.633; 13.342 90; 93.491; 90 | 3011.6 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517240 | CIF | C40 H42 O6 | P 1 21/c 1 | 6.6014; 17.3786; 13.6759 90; 97.042; 90 | 1557.11 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517241 | CIF | C40 H20 F10 O6 | P -1 | 6.816; 7.448; 16.417 79.881; 81.961; 75.475 | 790.2 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517242 | CIF | C40 H20 F10 O6 | P -1 | 6.9613; 7.1312; 17.3912 91.674; 90.029; 106.619 | 826.89 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517243 | CIF | C38 H16 F10 O4 | P 1 21/n 1 | 6.887; 31.518; 7.1384 90; 107.654; 90 | 1476.5 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517244 | CIF | C38 H16 F10 O6 | P -1 | 8.2523; 12.5862; 15.285 73.904; 86.299; 83.541 | 1514.7 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517255 | CIF | C29 H39 Cl5 N7 O3 P Ru | P 1 21/n 1 | 10.4643; 12.9834; 27.5941 90; 100.005; 90 | 3692 | Burgess, Samantha A.; Joslin, Evan E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H. Hydrophenylation of ethylene using a cationic Ru(ii) catalyst: comparison to a neutral Ru(ii) catalyst Chem. Sci., 2014, 5, 4355 |
| 1517285 | CIF | C19 H18 O4 S | P 21 21 21 | 5.5066; 14.1867; 20.951 90; 90; 90 | 1636.7 | Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M. Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration Chem. Sci., 2014, 5, 4763 |
| 1517286 | CIF | C19 H26 O5 S2 | P -1 | 8.5289; 10.9789; 11.4493 87.759; 72.017; 78.159 | 997.68 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517287 | CIF | C18 H18 Cl4 S2 | P 1 21/c 1 | 16.8843; 7.6695; 16.974 90; 115.956; 90 | 1976.3 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517288 | CIF | C25 H29 Cu2 F6 N4 O7 S3 | P -1 | 9.8541; 11.4575; 15.9521 93.504; 98.701; 114.179 | 1608.9 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517289 | CIF | C25 H28 Cu2 F6 N4 O7 S3 | P -1 | 9.6497; 10.7181; 16.889 73.733; 86.706; 69.619 | 1570.31 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517290 | CIF | C43 H26 N7 O15 S4 Zn2 | P 1 21/c 1 | 8.38; 20.9662; 13.0999 90; 95.038; 90 | 2292.72 | Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M. Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation Chem. Sci., 2014, 5, 4724 |
| 1517296 | CIF | C28 H30 N4 O6 Zn | P b a 2 | 11.2987; 14.6667; 8.2144 90; 90; 90 | 1361.25 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517297 | CIF | C50 H54 N8 O11 Zn2 | F d d 2 | 22.694; 29.694; 33.408 90; 90; 90 | 22513 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517298 | CIF | C24 H22 N4 O4 Zn | I 41/a c d :2 | 15.2355; 15.2355; 39.1054 90; 90; 90 | 9077.2 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517350 | CIF | C12 H18 N2 O6 | P 21 21 21 | 7.8669; 10.4681; 17.696 90; 90; 90 | 1457.3 | Jia, Xiangxiang; Li, Yan; Xiao, Longqiang; Liu, Lijian Synthesis and characterization of fluorescent oligo(3,4,5-triethoxycarbonyl-2-pyrazoline) Polymer Chemistry, 2014, 5, 4781 |
| 1517355 | CIF | C26 H16 S2 | P 1 21/c 1 | 18.239; 3.8855; 25.404 90; 91.023; 90 | 1800 | Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J. Conjugated oligomers incorporating azulene building blocks – seven- vs. five-membered ring connectivity Chem. Sci., 2014, 5, 4483 |
| 1517356 | CIF | C26 H16 S2 | P 1 21/n 1 | 10.961; 23.617; 14.6288 90; 97.762; 90 | 3752.2 | Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J. Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity Chem. Sci., 2014, 5, 4483 |
| 1517357 | CIF | C18 H17 Br O3 | P 1 21 1 | 8.4484; 6.0156; 16.494 90; 104.755; 90 | 810.6 | Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J. Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4504-4511 |
| 1517358 | CIF | C35 H52 Au F6 N P2 | P n a 21 | 22.231; 12.5844; 12.8929 90; 90; 90 | 3607 | Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W. Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement Chem. Sci., 2014, 5, 4975 |
| 1517359 | CIF | C20 H35 Cl P2 Pd | P n a 21 | 23.6604; 9.3856; 10.4813 90; 90; 90 | 2327.55 | Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex Polym. Chem., 2014, 5, 6435 |
| 1517360 | CIF | C88.72 H66 B Cl1.44 F24 Mn N2 O P4 | P -1 | 10.1892; 19.1512; 22.8693 73.339; 83.858; 89.798 | 4249 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517361 | CIF | C68 H49 Br F24 Mn N O P4 | P -1 | 13.0764; 16.0035; 17.7414 102.567; 93.99; 113.051 | 3284.5 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517362 | CIF | C61 H42 F24 Mn N O P4 | P 1 21/n 1 | 13.4167; 33.2709; 14.2193 90; 106.658; 90 | 6080.9 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517363 | CIF | C43 H37 F5 Mn N O6 P2 S | P m n 21 | 22.5699; 8.5815; 10.3862 90; 90; 90 | 2011.6 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517364 | CIF | C103 H57 B F46 Mn N O P4 | P 1 | 13.826; 14.0301; 14.8023 108.714; 109.969; 96.491 | 2474.82 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517365 | CIF | C92 H46 B Br F44 Mn N O2 P4 | P 1 21/n 1 | 20.4905; 14.9413; 30.717 90; 107.769; 90 | 8955.5 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517366 | CIF | C100 H55.5 B Br2.5 F44 Mn N O P4 | P -1 | 14.3935; 15.8738; 23.3799 73.676; 72.993; 82.991 | 4897.7 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517367 | CIF | C46 H58 Cl6 N2 | P 1 21/c 1 | 13.6043; 29.34; 11.7173 90; 101.006; 90 | 4590.9 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517368 | CIF | C42 H48 N2 | C 1 2/c 1 | 18.183; 17.083; 10.329 90; 97.513; 90 | 3180.9 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517369 | CIF | C66 H76 N2 | C 1 2/c 1 | 25.799; 18.171; 11.441 90; 103.053; 90 | 5225 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517370 | CIF | C127 H108 Cl6 N2 O4 P4 Pd3 S4 | P -1 | 17.4188; 17.5604; 22.7255 87.6505; 71.9113; 60.5328 | 5700.3 | Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands Chem. Sci., 2014, 5, 4888 |
| 1517371 | CIF | C64 H51 Cl4 N O2 P2 Pd S2 | P -1 | 13.8975; 16.8234; 17.2132 99.9912; 112.238; 111.275 | 3238.06 | Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands Chem. Sci., 2014, 5, 4888 |
| 1517422 | CIF | C19 H27 N7 | C 1 2/c 1 | 16.6894; 13.1912; 17.1396 90; 107.752; 90 | 3593.67 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
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