Information card for entry 7045772

Structure parameters

• Formula: C28.5 H29 Cl F6 N3 O0.5 P Rh
• Calculated formula: C28.5 H29 Cl F6 N3 O0.5 P 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: 23.9844 ± 0.0031 Å
• b: 17.8044 ± 0.002 Å
• c: 13.8845 ± 0.0023 Å
• α: 90°
• β: 104.018 ± 0.0071°
• γ: 90°
• Cell volume: 5752.5 ± 1.4 ų
• Cell temperature: 163.15 K
• Ambient diffraction temperature: 163.15 K
• Number of distinct elements: 8
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No