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Information card for entry 4325967
Preview
Coordinates | 4325967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H39 Cl2 N8 Re |
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Calculated formula | C45 H39 Cl2 N8 Re |
SMILES | c1ccc2[n]([Re]345([N](c6ccccc6N4c4ccc(cc4)C)=N2)[N](c2c(cccc2)N5c2ccc(cc2)C)=Nc2c(cccc2)N3c2ccc(cc2)C)c1.ClCCl |
Title of publication | Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands |
Authors of publication | Nanda D. Paul; Subhas Samanta; Tapan K. Mondal; Sreebrata Goswami |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7886 - 7893 |
a | 9.7491 ± 0.0003 Å |
b | 19.049 ± 0.0006 Å |
c | 21.1424 ± 0.0006 Å |
α | 90° |
β | 100.078 ± 0.001° |
γ | 90° |
Cell volume | 3865.8 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0709 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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