Information card for entry 4300215

Structure parameters

• Formula: C70 H68 Cl3 Co3 N13
• Calculated formula: C70 H65 Cl3 Co3 N13
• SMILES: [Co](Cl)(Cl)(Cl)[N](c1ccccc1)=C1N\C(=N/c2ccccc2)CCC1.[Co]123[N](c5ccccc5)=C5N6[Co]7([N](=C6CCC5)c5ccccc5)([N](c5ccccc5)=C5[N]1=C(N2c1ccccc1)CCC5)[N]1=C(N3c2ccccc2)CCCC1=[N]7c1ccccc1.N#CC
• Title of publication: A Dinuclear Cation with Both Four- and Five-Coordinate Cobalt(II)
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1039 - 1041
• a: 15.8538 ± 0.0008 Å
• b: 13.4781 ± 0.0004 Å
• c: 31.9115 ± 0.0012 Å
• α: 90°
• β: 103.044 ± 0.003°
• γ: 90°
• Cell volume: 6642.9 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1009
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No