Information card for entry 1544715

Structure parameters

• Chemical name: RuPY5Me2OH2_NO3
• Formula: C29 H27 N7 O7 Ru
• Calculated formula: C29 H27 N7 O7 Ru
• SMILES: [Ru]1234([OH2])[n]5ccccc5C(c5[n]1cccc5)(C)c1[n]4c(C(c4[n]2cccc4)(C)c2[n]3cccc2)ccc1.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities
• Authors of publication: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki
• Journal of publication: Faraday Discuss.
• Year of publication: 2016
• a: 21.36 ± 0.006 Å
• b: 11.5 ± 0.003 Å
• c: 13.126 ± 0.004 Å
• α: 90°
• β: 121.481 ± 0.003°
• γ: 90°
• Cell volume: 2749.7 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No