Information card for entry 4347914

Structure parameters

• Formula: C46 H64 Cl6 N6 Ru
• Calculated formula: C46 H64 Cl6 N6 Ru
• SMILES: [Ru]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)([n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C)(C#N)C#N.ClC(Cl)Cl.ClC(Cl)Cl.CCCCCC
• Title of publication: Optical Resolution, Determination of Absolute Configuration, and Photoracemization of cis-RuL2(CN)2 (L = 2,2'-Bipyridine and Its Analogues).
• Authors of publication: Aihara, Yusuke; Sato, Kyohei; Shinozaki, Kazuteru
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8387 - 8395
• a: 15.2569 ± 0.0019 Å
• b: 18.666 ± 0.003 Å
• c: 18.731 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5334.3 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No