Information card for entry 7007251

Structure parameters

• Formula: C67 H89 F18 Mn N6 O6 P7 Ru
• Calculated formula: C67 H89 F18 Mn N6 O6 P7 Ru
• SMILES: [Ru]([N]#C[Mn]12([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])([NH3])([NH3])([NH3])([NH3])[NH3].CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal-metal charge transfer and solvatochromism in cyanomanganese carbonyl complexes of ruthenium and osmium.
• Authors of publication: Adams, Christopher J.; Connelly, Neil G.; Goodwin, Nicholas J.; Hayward, Owen D.; Orpen, A. Guy; Wood, Andrew J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3584 - 3596
• a: 11.596 ± 0.008 Å
• b: 14.943 ± 0.008 Å
• c: 25.237 ± 0.015 Å
• α: 104.96 ± 0.02°
• β: 100.72 ± 0.04°
• γ: 98.59 ± 0.03°
• Cell volume: 4060 ± 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: 0.1837
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No