Information card for entry 7013734

Structure parameters

• Formula: C52 H74 F12 Mn5 N12 O5 P2
• Calculated formula: C52 H74 F12 Mn5 N12 O5 P2
• SMILES: [Mn]([O](CC)CC)([N]#C[Mn]1234(N=O)([c]5([cH]1[cH]2[cH]3[cH]45)C)C#[N]C(C)(C)C)([N]#C[Mn]1234(N=O)([c]5([cH]2[cH]1[cH]3[cH]45)C)C#[N]C(C)(C)C)([N]#C[Mn]1234(N=O)([c]5([cH]1[cH]2[cH]3[cH]45)C)C#[N]C(C)(C)C)[N]#C[Mn]1234(N=O)([c]5(C)[cH]1[cH]2[cH]3[cH]45)C#[N]C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bi- and poly-metallic cyanide-bridged complexes of the redox-active cyanomanganese nitrosyl unit [Mn(CN)(PR3)(NO)(eta-C5H4Me)].
• Authors of publication: Adams, Christopher J.; Anderson, Kirsty M.; Bardaji, Manuel; Connelly, Neil G.; Goodwin, Nicholas J.; Llamas-Rey, Estefania; Orpen, A. Guy; Rieger, Philip H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 683 - 694
• a: 9.4219 ± 0.0004 Å
• b: 14.5958 ± 0.0006 Å
• c: 25.8306 ± 0.0011 Å
• α: 86.97 ± 0.001°
• β: 82.885 ± 0.001°
• γ: 76.298 ± 0.001°
• Cell volume: 3423.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.12
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No