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Information card for entry 1517756
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Coordinates | 1517756.cif |
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Formula | C50 H40 Cl2 N4 O3 P2 Re2 |
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Calculated formula | C50 H40 Cl2 N4 O3 P2 Re2 |
SMILES | [Re]12(=O)(O[Re](=O)([n]3n1c1ccccc1c3)([n]1n2c2ccccc2c1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl |
Title of publication | Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties |
Authors of publication | B. Machura; M. Wolff; J. Palion; E. Benoist |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 404 |
Pages of publication | 144 - 154 |
a | 11.3583 ± 0.0007 Å |
b | 18.9687 ± 0.0007 Å |
c | 11.4532 ± 0.0005 Å |
α | 90° |
β | 109.69 ± 0.005° |
γ | 90° |
Cell volume | 2323.3 ± 0.2 Å3 |
Cell temperature | 295 ± 0.2 K |
Ambient diffraction temperature | 295 ± 0.2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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