Information card for entry 4310244

Structure parameters

• Formula: C30 H17 Co2 Mn O9
• Calculated formula: C30 H17 Co2 Mn O9
• SMILES: C(#[O])[Mn]12345(C#[O])(C(=O)C1([C]16=[C]7(c8ccccc8)[Co]1(C#[O])(C#[O])(C#[O])[Co]67(C#[O])(C#[O])C#[O])c1ccccc1)[c]1([cH]5[cH]4[cH]3[cH]21)C
• Title of publication: A Favorable Case Where an Experimental Electron Density Analysis Offers a Lead for Understanding a Specific Fluxional Process Observed in Solution
• Authors of publication: Yannick Ortin; Noël Lugan; Sébastien Pillet; Mohammed Souhassou; Claude Lecomte; Karine Costuas; Jean-Yves Saillard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9607 - 9609
• a: 9.2994 ± 0.0005 Å
• b: 10.1733 ± 0.0005 Å
• c: 14.6154 ± 0.0007 Å
• α: 98.87 ± 0.004°
• β: 90.08 ± 0.004°
• γ: 97.201 ± 0.004°
• Cell volume: 1355.08 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No