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Information card for entry 4073472
Preview
Coordinates | 4073472.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H27 B Mo2 S2 |
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Calculated formula | C20 H27 B Mo2 S2 |
SMILES | C[S]1[Mo]234567([C](Cc8ccccc8)[Mo]89%10%11%1217([cH]1[cH]8[cH]9[cH]%10[cH]%111)[S]6C)([cH]1[cH]5[cH]4[cH]3[cH]21)[H][BH2][H]%12 |
Title of publication | Formation of New μ-Thioalkylidene and μ-Borohydride Dimolybdenum Complexes from the μ-Alkylidyne Precursor [Mo2Cp2(μ-SMe)3(μ-CCH2Ph)] |
Authors of publication | Le Goff, Alan; Le Roy, Christine; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 14 |
Pages of publication | 3607 |
a | 8.5128 ± 0.0007 Å |
b | 30.503 ± 0.002 Å |
c | 7.8636 ± 0.0006 Å |
α | 90° |
β | 94.602 ± 0.007° |
γ | 90° |
Cell volume | 2035.3 ± 0.3 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1158 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.1192 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
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/4073472.html
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Users of the data should acknowledge the original authors of the
structural data.