Information card for entry 7005833

Structure parameters

• Formula: C70 H59 F6 Mn2 N2 O9 P5
• Calculated formula: C70 H59 F6 Mn2 N2 O9 P5
• SMILES: [Mn]1234([P](Oc5ccccc5)(Oc5ccccc5)Oc5ccccc5)([N]#C[Mn]5([P](C[P]5(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)([P](Oc5ccccc5)(Oc5ccccc5)Oc5ccccc5)(C#[O])C#[O])(N=O)[c]5(C)[cH]1[cH]2[cH]3[cH]45.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The effect of micro-CN linkage isomerism and ancillary ligand set on directional metal-metal charge-transfer in cyanide-bridged dimanganese complexes.
• Authors of publication: Adams, Christopher J.; Anderson, Kirsty M.; Connelly, Neil G.; Llamas-Rey, Estefania; Orpen, A. Guy; Paul, Rowena L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3609 - 3622
• a: 34.821 ± 0.003 Å
• b: 11.161 ± 0.0011 Å
• c: 37.628 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14624 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No