Information card for entry 7106671

Structure parameters

• Common name: C0-Rh-2
• Chemical name: 4-(2,6-dimethylphenyl)-3-methylpyridine-coordinated rhodium 5,10,15,20-tetraphenylporphyrin chloride
• Formula: C59 H47 Cl N5 O Rh
• Calculated formula: C59 H47 Cl N5 O Rh
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Rh](n78)([n]56)(n34)(Cl)[n]1ccc(c(c1)C)c1c(cccc1C)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CO
• Title of publication: Comparison of Molecular Conductance between Planer and Twisted 4-Phenylpyridine by using Two-dimensional Phase Separation of Tetraphenylporphyrin Templates at Liquid-HOPG Interface
• Authors of publication: Takeshi Sakano; Kenji Higashiguchi; Kenji Matsuda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8427
• a: 17.7891 ± 0.0012 Å
• b: 13.8346 ± 0.001 Å
• c: 20.6811 ± 0.0019 Å
• α: 90°
• β: 111.283 ± 0.001°
• γ: 90°
• Cell volume: 4742.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No