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Information card for entry 4327734
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4327734.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis[4-bromo-3,5-di(tert-butyl)-1H-pyrazolato-kappa-N1,kappa-N2][tert-bu- tyl-imido]-oxo-molybdenum(VI) |
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Formula | C26 H45 Br2 Mo N5 O |
Calculated formula | C26 H45 Br2 Mo N5 O |
SMILES | [Mo]12(=O)(=NC(C)(C)C)(n3[n]1c(c(c3C(C)(C)C)Br)C(C)(C)C)n1[n]2c(c(c1C(C)(C)C)Br)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 | 11.7782 ± 0.0006 Å |
b | 15.5201 ± 0.0008 Å |
c | 17.931 ± 0.0009 Å |
α | 104.523 ± 0.002° |
β | 90.81 ± 0.002° |
γ | 100.914 ± 0.003° |
Cell volume | 3109.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0702 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 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/4327734.html
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Users of the data should acknowledge the original authors of the
structural data.