Information card for entry 7028164

Structure parameters

• Formula: C68 H74 F12 Mn2 N2 O10 P8 Tl2
• Calculated formula: C68 H74 F12 Mn2 N2 O10 P8 Tl2
• SMILES: c1c([P]2(c3ccccc3)[Mn](C#[O])(C#[O])(C#N)([P](C2)(c2ccccc2)c2ccccc2)[P](OCC)(OCC)OCC)cccc1.[P](F)(F)(F)(F)(F)[F-].[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: 10.084 ± 0.0008 Å
• b: 13.297 ± 0.002 Å
• c: 15.921 ± 0.002 Å
• α: 71.423 ± 0.009°
• β: 77.844 ± 0.008°
• γ: 78.945 ± 0.006°
• Cell volume: 1960.2 ± 0.4 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: 0.0324
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.0639
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No