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Information card for entry 7111238
Preview
Coordinates | 7111238.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H19 Cl Mo N2 O2 |
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Calculated formula | C11 H19 Cl Mo N2 O2 |
SMILES | [Mo]1(Cl)(=O)(=O)[n]2n1c(cc2C(C)(C)C)C(C)(C)C |
Title of publication | The first molybdenum dioxo compounds with η^2^-pyrazolate ligands: crystal structure and oxo transfer properties |
Authors of publication | Most, Kerstin; Köpke, Sinje; Dall'Antonia, Fabio; Mösch-Zanetti, Nadia C. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 16 |
Pages of publication | 1676 - 1677 |
a | 15.35 ± 0.01 Å |
b | 10.28 ± 0.01 Å |
c | 19.75 ± 0.02 Å |
α | 90° |
β | 106.87 ± 0.07° |
γ | 90° |
Cell volume | 2982 ± 5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.022 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.0545 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/7111238.html
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