Information card for entry 7013735

Structure parameters

• Formula: C70 H76 F6 Mn5 N13 O9 P
• Calculated formula: C70 H76 F6 Mn5 N13 O9 P
• SMILES: C(#[N][Mn]1([N]#C[Mn]2345(N=O)([c]6([cH]5[cH]4[cH]3[cH]26)C)C#[N]c2c(cccc2C)C)(ON(=[O]1)=O)([N]#C[Mn]1234([c]5([cH]4[cH]3[cH]2[cH]15)C)(C#[N]c1c(cccc1C)C)N=O)[N]#C[Mn]1234(N=O)([c]5([cH]4[cH]3[cH]2[cH]15)C)C#[N]c1c(cccc1C)C)[Mn]1234([c]5([cH]4[cH]3[cH]2[cH]15)C)(C#[N]c1c(cccc1C)C)N=O.[P](F)(F)(F)(F)(F)[F-].CC(=O)C.CC(=O)C
• 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: 26.525 ± 0.002 Å
• b: 12.1585 ± 0.001 Å
• c: 24.814 ± 0.002 Å
• α: 90°
• β: 108.69 ± 0.002°
• γ: 90°
• Cell volume: 7580.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No