Information card for entry 4300216

Structure parameters

• Formula: C63 H72 Co2 F12 Li N9 O3 P2
• Calculated formula: C63 H72 Co2 F12 Li N9 O3 P2
• SMILES: [Co]123[N](c4ccccc4)=C5N1C(=[N]([Co]14([N](c6ccccc6)=C6N1C(=[N]2c1ccccc1)CCC6)[N](c1ccccc1)=C1N4C(=[N]3c2ccccc2)CCC1)c1ccccc1)CCC5.[Li]([F][P](F)(F)(F)(F)F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.904 ± 0.003 Å
• b: 17.328 ± 0.004 Å
• c: 23.828 ± 0.005 Å
• α: 98.21 ± 0.03°
• β: 99.91 ± 0.03°
• γ: 105.84 ± 0.03°
• Cell volume: 6480 ± 2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1409
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No