Information card for entry 2230993

Structure parameters

• Chemical name: Tetraethylammonium tri-μ-phenolato-bis[tricarbonylmanganate(I)]
• Formula: C32 H35 Mn2 N O9
• Calculated formula: C32 H35 Mn2 N O9
• SMILES: [Mn]123([Mn]([O]1c1ccccc1)([O]2c1ccccc1)([O]3c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium tri-μ-phenolato-bis[tricarbonylmanganate(I)]
• Authors of publication: McNeese, Timothy J.; Pike, Robert D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1150
• a: 18.6831 ± 0.0004 Å
• b: 9.2037 ± 0.0002 Å
• c: 18.5999 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3198.32 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes