Information card for entry 7045773

Structure parameters

• Formula: C29 H34 Cl2 N3 O2 Rh
• Calculated formula: C29 H34 Cl2 N3 O2 Rh
• Title of publication: Electrochemical behavior of a Rh(pentamethylcyclopentadienyl) complex bearing an NAD⁺/NADH-functionalized ligand.
• Authors of publication: Kobayashi, Katsuaki; Koizumi, Take-Aki; Ghosh, Debashis; Kajiwara, Takashi; Kitagawa, Susumu; Tanaka, Koji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5207 - 5216
• a: 13.4222 ± 0.0026 Å
• b: 14.4974 ± 0.0026 Å
• c: 14.0871 ± 0.0026 Å
• α: 90 ± 0.0007°
• β: 96.3341 ± 0.0008°
• γ: 90 ± 0.0007°
• Cell volume: 2724.4 ± 0.9 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No