Information card for entry 4346940

Structure parameters

• Formula: C45 H39 B2 F8 N7 O2 Ru
• Calculated formula: C45 H39 B2 F8 N7 O2 Ru
• Title of publication: Photochemical Properties and Reactivity of a Ru Compound Containing an NAD/NADH-Functionalized 1,10-Phenanthroline Ligand.
• Authors of publication: Kobayashi, Katsuaki; Ohtsu, Hideki; Nozaki, Koichi; Kitagawa, Susumu; Tanaka, Koji
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2076 - 2084
• a: 8.5139 ± 0.0012 Å
• b: 11.7941 ± 0.0018 Å
• c: 21.89 ± 0.003 Å
• α: 99.438 ± 0.002°
• β: 90.21 ± 0.002°
• γ: 104.926 ± 0.003°
• Cell volume: 2092.7 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No