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Information card for entry 4060041
Preview
Coordinates | 4060041.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H9 Mo N O2 S |
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Calculated formula | C12 H9 Mo N O2 S |
SMILES | [Mo]12345(Sc6[n]1cccc6)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS) |
Authors of publication | Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Pages of publication | 266 - 271 |
a | 6.3568 ± 0.0012 Å |
b | 12.5627 ± 0.0016 Å |
c | 14.658 ± 0.002 Å |
α | 90° |
β | 94.75 ± 0.014° |
γ | 90° |
Cell volume | 1166.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/4060041.html
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Users of the data should acknowledge the original authors of the
structural data.