Information card for entry 7028163

Structure parameters

• Formula: C60 H60 F6 Mn N O3 P5 Tl
• Calculated formula: C59.65 H52.5 F6 Mn N O3 P5 Tl
• Title of publication: Novel N-bound thallium(I) complexes of redox-active cyanomanganese carbonyl ligands: cyanide as a μ3-κC∶κN∶κN triply bridging ligand
• Authors of publication: Connelly, Neil G.; Hicks, Owen M.; Lewis, Gareth R.; Moreno, M. Teresa; Orpen, A. Guy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 11
• Pages of publication: 1913
• a: 19.1132 ± 0.0018 Å
• b: 22.6366 ± 0.0021 Å
• c: 28.0759 ± 0.0048 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12147 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections: 0.2868
• Weighted residual factors for significantly intense reflections: 0.2836
• Goodness-of-fit parameter for all reflections: 1.26
• Goodness-of-fit parameter for significantly intense reflections: 1.303
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No