Information card for entry 2240510

Structure parameters

• Chemical name: Ruthenocenecarbonitrile
• Formula: C11 H9 N Ru
• Calculated formula: C11 H9 N Ru
• SMILES: C(#N)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]7[cH]8[cH]62
• Title of publication: Crystal structure of ruthenocenecarbonitrile
• Authors of publication: Strehler, Frank; Korb, Marcus; Lang, Heinrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 398 - 401
• a: 7.2023 ± 0.0002 Å
• b: 8.6802 ± 0.0002 Å
• c: 7.2922 ± 0.0001 Å
• α: 90°
• β: 106.497 ± 0.002°
• γ: 90°
• Cell volume: 437.123 ± 0.017 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0125
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes