Information card for entry 7009536

Structure parameters

• Formula: C56 H52 Cl2 Co Mn N O2 P4
• Calculated formula: C56 H52 Cl2 Co Mn N O2 P4
• SMILES: [Co](Cl)(Cl)([O]1CCCC1)[N]#C[Mn]12([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Coordination chemistry of a bulky redox-active cyanomanganese carbonyl ligand: N-bound tetrahedral complexes of 3d metals
• Authors of publication: Connelly, Neil G.; Hicks, Owen M.; Lewis, Gareth R.; Orpen, A. Guy; Wood, Andrew J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1637
• a: 10.192 ± 0.002 Å
• b: 13.922 ± 0.002 Å
• c: 19.286 ± 0.004 Å
• α: 91.22 ± 0.02°
• β: 97.58 ± 0.02°
• γ: 105.838 ± 0.014°
• Cell volume: 2604.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.1033
• Goodness-of-fit parameter for all reflections: 1.226
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No