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Information card for entry 7011686
Preview
Coordinates | 7011686.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H12 N3 O3 V |
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Calculated formula | C14 H12 N3 O3 V |
SMILES | [V]12(=O)(=O)OC(=N[N]2=C(c2[n]1cccc2)C)c1ccccc1 |
Title of publication | Biomimetic oxo-, dioxo- and oxo-peroxo-hydrazonato-vanadium(iv/v) complexes |
Authors of publication | Maurya, Mannar R.; Khurana, Shilpa; Zhang, Wenjian; Rehder, Dieter |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 15 |
Pages of publication | 3015 |
a | 16.2827 ± 0.0015 Å |
b | 12.6396 ± 0.0012 Å |
c | 14.7731 ± 0.0014 Å |
α | 90° |
β | 119.793 ± 0.001° |
γ | 90° |
Cell volume | 2638.5 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1234 |
Weighted residual factors for all reflections included in the refinement | 0.1286 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7011686.html
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Users of the data should acknowledge the original authors of the
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