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Information card for entry 4327733
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4327733.cif |
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Original paper (by DOI) | HTML |
Chemical name | [3,5-bis(tert-butyl)-1H-pyrazolato-kappa-N1,kappa-N2][3,5-bis(tert-butyl)- 1H-pyrazolato-kappa-N1][tert-butylaminato]-oxo-molybdenum(VI) |
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Formula | C26 H47 Mo N5 O |
Calculated formula | C26 H47 Mo N5 O |
SMILES | [Mo]12(=O)(=NC(C)(C)C)(n3[n]1c(cc3C(C)(C)C)C(C)(C)C)n1[n]2c(cc1C(C)(C)C)C(C)(C)C |
Title of publication | Unusual Nonoctahedral Geometry with Molybdenum Oxoimido Complexes Containing η2-Pyrazolate Ligands |
Authors of publication | T. Arumuganathan; Manuel Volpe; Bastian Harum; Dietmar Wurm; Ferdinand Belaj; Nadia C. Mösch-Zanetti |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 150 - 156 |
a | 9.6391 ± 0.0014 Å |
b | 12.251 ± 0.002 Å |
c | 14.203 ± 0.003 Å |
α | 65.037 ± 0.012° |
β | 72.924 ± 0.012° |
γ | 76.939 ± 0.012° |
Cell volume | 1443.4 ± 0.5 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0332 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4327733.html
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Users of the data should acknowledge the original authors of the
structural data.