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Information card for entry 7212338
Preview
Coordinates | 7212338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H54 Cl N4 O12 Rh |
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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 Å3 |
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 |
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