Information card for entry 4345016

Structure parameters

• Formula: C22 H27 Cl2 N2 O2 Rh
• Calculated formula: C22 H27 Cl2 N2 O2 Rh
• SMILES: [Rh]12345(Cl)([n]6cccc(c6c6[n]1cccc6CO)CO)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Cl-]
• Title of publication: Correlation between the Structure and Catalytic Activity of [Cp*Rh(Substituted Bipyridine)] Complexes for NADH Regeneration.
• Authors of publication: Ganesan, Vinothkumar; Sivanesan, Dharmalingam; Yoon, Sungho
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1366 - 1374
• a: 7.9789 ± 0.0004 Å
• b: 12.2208 ± 0.0005 Å
• c: 11.6751 ± 0.0005 Å
• α: 90°
• β: 101.379 ± 0.002°
• γ: 90°
• Cell volume: 1116.04 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No