Information card for entry 1519750

Structure parameters

• Formula: C16 H24 N2 Ru
• Calculated formula: C16 H24 N2 Ru
• SMILES: [Ru]12345678([c]9([cH]1[cH]8[cH]7[c]69CN(C)C)CN(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: C16H24N2Ru
• Authors of publication: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2005
• Pages of publication: 1103
• a: 7.747 ± 0.009 Å
• b: 15.519 ± 0.018 Å
• c: 25.745 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3095 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2192
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No