Information card for entry 7009537

Structure parameters

• Formula: C60 H60 Cl2 Mn2 N O3 P4
• Calculated formula: C60 H58.8 Cl2 Mn2 N O3 P4
• 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: 13.3946 ± 0.0013 Å
• b: 14.366 ± 0.0008 Å
• c: 16.995 ± 0.002 Å
• α: 110.087 ± 0.009°
• β: 106.829 ± 0.008°
• γ: 99.213 ± 0.008°
• Cell volume: 2814.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 73 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.0885
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No