Information card for entry 7212338

Structure parameters

• Formula: C57 H54 Cl N4 O12 Rh
• Calculated formula: C57 H39 Cl N4 O12 Rh
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Rh](Cl)(n78)([n]56)(n34)[OH]C(C)C)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].CC(C)O.OC(C)C.O
• Title of publication: Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts.
• Authors of publication: Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 31
• Pages of publication: 8968 - 8976
• a: 10.014 ± 0.003 Å
• b: 17.88 ± 0.006 Å
• c: 18.207 ± 0.006 Å
• α: 101.013 ± 0.007°
• β: 97.413 ± 0.007°
• γ: 96.628 ± 0.006°
• Cell volume: 3140.2 ± 1.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2377
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No