Information card for entry 2021207

Structure parameters

• Chemical name: 1,1'-Diformylruthenocene
• Formula: C12 H10 O2 Ru
• Calculated formula: C12 H10 O2 Ru
• SMILES: [Ru]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C=O)[c]1([cH]5[cH]6[cH]7[cH]81)C=O
• Title of publication: X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene
• Authors of publication: Anzaldo, Bertin; Sharma, Pankaj; Lara Ochoa, Francisco; Villamizar C., Claudia P.; Gutiérrez Pérez, René
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1186
• a: 8.944 ± 0.002 Å
• b: 10.797 ± 0.003 Å
• c: 20.52 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes