Information card for entry 7009539

Structure parameters

• Formula: C104 H88 Cl2 Co Mn2 N2 O2 P8
• Calculated formula: C104 H88 Cl2 Co Mn2 N2 O2 P8
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Mn]2([P]1(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[N][Co]([N]#C[Mn]12([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(Cl)Cl
• 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: 21.332 ± 0.003 Å
• b: 11.742 ± 0.002 Å
• c: 37.409 ± 0.004 Å
• α: 90°
• β: 92.516 ± 0.015°
• γ: 90°
• Cell volume: 9361 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.0786
• Goodness-of-fit parameter for all reflections: 1.167
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No