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Information card for entry 7009878
Preview
Coordinates | 7009878.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H27 Mo2 O6 P |
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Calculated formula | C30 H27 Mo2 O6 P |
SMILES | [Mo]234567([P](c1ccccc1)(c1ccccc1)[Mo]89%10%11%12([cH]1[cH]%11[cH]%10[cH]9[cH]81)(C#[O])[CH](C(=[O]2)OC)=[C]7%12C(=O)OC)([cH]1[cH]3[cH]4[cH]5[cH]61)C#[O] |
Title of publication | Reactions of [Mo2(μ-RC2R)(CO)4Cp2] (R = CO2Me, Cp = η-C5H5) with P2Ph4, PPh2H and R1SH (R1 = Et, Pri, C6H4Me-p or But): stabilisation of μ-vinyl complexes by chelating substituents |
Authors of publication | Adams, Harry; Biebricher, Andreas; Gay, Sally R.; Hamilton, Trevor; McHugh, Paul E.; Morris, Michael J.; Mays, Martin J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 17 |
Pages of publication | 2983 |
a | 9.3859 ± 0.0007 Å |
b | 17.755 ± 0.0014 Å |
c | 16.2444 ± 0.0013 Å |
α | 90° |
β | 93.291 ± 0.002° |
γ | 90° |
Cell volume | 2702.6 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.065 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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