Information card for entry 7212339

Structure parameters

• Formula: C50 H42 Cl N4 O5 Rh
• Calculated formula: C50 H42 Cl N4 O5 Rh
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Rh](Cl)([n]78)(n56)([n]34)[OH]CC)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC
• 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: 23.601 ± 0.006 Å
• b: 9.222 ± 0.002 Å
• c: 39.715 ± 0.009 Å
• α: 90°
• β: 91.825 ± 0.005°
• γ: 90°
• Cell volume: 8640 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.1347
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No