Information card for entry 4314848

Structure parameters

• Formula: C47 H66 N6 O3 Ru
• Calculated formula: C47 H66 N6 O3 Ru
• Title of publication: Luminescence Change by the Solvent of Crystallization, Solvent Reorganization, and Vapochromism of Neutral Dicyanoruthenium(II) Complex in the Solid State
• Authors of publication: Taichi Abe; Takayoshi Suzuki; Kazuteru Shinozaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1794 - 1800
• a: 18.5622 ± 0.0005 Å
• b: 15.5319 ± 0.0005 Å
• c: 18.0697 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5209.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No