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Information card for entry 1556869
Preview
Coordinates | 1556869.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H60 Cl2 N4 O2 Ru |
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Calculated formula | C60 H58 N4 O2 Ru |
SMILES | [Ru]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)(=C1C2CC3CC1CC(C2)C3)[OH]C.OC |
Title of publication | Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. |
Authors of publication | Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 8 |
Pages of publication | 2243 - 2259 |
a | 11.5545 ± 0.001 Å |
b | 17.3432 ± 0.0016 Å |
c | 25.028 ± 0.002 Å |
α | 90° |
β | 95.757 ± 0.002° |
γ | 90° |
Cell volume | 4990.1 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556869.html
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