Information card for entry 4301849

Structure parameters

• Formula: C30 H38 N4 O2 Ru
• Calculated formula: C30 H38 N4 O2 Ru
• SMILES: c12c(cccc2)C=[N]2[C@H]3CCCC[C@@H]3[N]3[Ru]2(O1)(C#[N]C(C)(C)C)(Oc1ccccc1C=3)C#[N]C(C)(C)C.c12c(cccc2)C=[N]2[C@@H]3CCCC[C@H]3[N]3[Ru]2(O1)(C#[N]C(C)(C)C)(Oc1ccccc1C=3)C#[N]C(C)(C)C
• Title of publication: Reaction of a (Salen)ruthenium(VI) Nitrido Complex with Isocyanide
• Authors of publication: Hoi-Ki Kwong; Wai-Lun Man; Jing Xiang; Wing-Tak Wong; Tai-Chu Lau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3080 - 3086
• a: 17.1 ± 0.002 Å
• b: 13.6041 ± 0.0018 Å
• c: 14.7986 ± 0.0019 Å
• α: 90°
• β: 123.149 ± 0.002°
• γ: 90°
• Cell volume: 2882.3 ± 0.6 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No