Information card for entry 7009538

Structure parameters

• Formula: C60 H60 Cl2 Mn N Ni O3 P4
• Calculated formula: C60 H60 Cl2 Mn N Ni O3 P4
• SMILES: [Ni](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].O1CCCC1
• 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: 13.3705 ± 0.0012 Å
• b: 14.325 ± 0.002 Å
• c: 17.179 ± 0.002 Å
• α: 111.382 ± 0.007°
• β: 106.904 ± 0.006°
• γ: 98.725 ± 0.01°
• Cell volume: 2806.2 ± 0.6 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: 0.0799
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.1914
• Weighted residual factors for significantly intense reflections: 0.1656
• Goodness-of-fit parameter for all reflections: 1.142
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No