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Information card for entry 7040551
Preview
Coordinates | 7040551.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 Mo N O2 S2 |
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Calculated formula | C19 H19 Mo N O2 S2 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Mo]12345(C#[O])(C#[O])[n]2c3ccccc3sc2S1)C)C)C)C |
Title of publication | Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)]. |
Authors of publication | Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16317 - 16324 |
a | 7.6144 ± 0.0003 Å |
b | 8.3214 ± 0.0004 Å |
c | 16.6856 ± 0.0007 Å |
α | 77.412 ± 0.002° |
β | 88.615 ± 0.002° |
γ | 66.58 ± 0.002° |
Cell volume | 944.52 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.041 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0732 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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