Information card for entry 7007252

Structure parameters

• Formula: C46 H76 F18 Mn N6 O9 P6 Ru
• Calculated formula: C46 H76 F18 Mn N6 O9 P6 Ru
• SMILES: [Ru]([N]#C[Mn]1(C#[O])(C#[O])([P](OCC)(OCC)OCC)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([NH3])([NH3])([NH3])([NH3])[NH3].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C
• 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: 14.091 ± 0.004 Å
• b: 31.216 ± 0.005 Å
• c: 16.167 ± 0.004 Å
• α: 90°
• β: 93.48 ± 0.03°
• γ: 90°
• Cell volume: 7098 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2056
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No