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Information card for entry 7028002
Preview
Coordinates | 7028002.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cis-Dioxo-(S-benzyl-3-(2-mercapto-phenyl)-methylendithiocarbazate) (4-methyl-pyridine)molybdenum(VI) |
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Formula | C22 H21 Mo N3 O2 S3 |
Calculated formula | C22 H21 Mo N3 O2 S3 |
SMILES | [Mo]12(Sc3ccccc3C(=[N]2N=C(S1)SCc1ccccc1)C)(=O)(=O)[n]1ccc(cc1)C |
Title of publication | Molybdenum complexes with tridentate NS2 ligands. Synthesis, crystal structures and spectroscopic properties |
Authors of publication | Stelzig, Lutz; Kötte, Stephan; Krebs, Bernt |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 17 |
Pages of publication | 2921 |
a | 10.779 ± 0.002 Å |
b | 12.678 ± 0.002 Å |
c | 17.567 ± 0.003 Å |
α | 90° |
β | 100.89 ± 0.02° |
γ | 90° |
Cell volume | 2357.4 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0625 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for all reflections | 0.0902 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Goodness-of-fit parameter for all reflections | 0.887 |
Goodness-of-fit parameter for significantly intense reflections | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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