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Information card for entry 4332786
Preview
Coordinates | 4332786.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H27 Cl9 I N6 O5 Ru2 |
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Calculated formula | C45 H27 Cl9 I N6 O5 Ru2 |
SMILES | Ic1ccc(C2=[N]([Ru]345([Ru](N2C)(N(C=[N]3c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([N](=CN4c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([O]=C(C)O5)[OH2])Cl)C)cc1.C1CCOC1.C1CCCO1 |
Title of publication | Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery |
Authors of publication | Chen, Wei-Zhong; Ren, Tong |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 20 |
Pages of publication | 8156 - 8164 |
a | 15.416 ± 0.002 Å |
b | 22.943 ± 0.004 Å |
c | 17.11 ± 0.004 Å |
α | 90° |
β | 113.033 ± 0.014° |
γ | 90° |
Cell volume | 5569.2 ± 1.9 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0971 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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