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Information card for entry 7010784
Preview
Coordinates | 7010784.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H20 Mo2 O3 Ru S2 |
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Calculated formula | C27 H20 Mo2 O3 Ru S2 |
SMILES | [Ru]123([Mo]456789%10%11([Mo]%12%13%14%15%161([S]24)([S]35)([cH]1[cH]%12[cH]%13[cH]%14[cH]%151)[C]%10(=[C]%11%16c1ccccc1)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])C#[O] |
Title of publication | A dimolybdenum complex with an alkyne ligand parallel to the metal‒metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2] |
Authors of publication | Adams, Harry; Morris, Michael J.; Mountford, Philip; Patel, Rushmiben; Spey, Sharon E. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 18 |
Pages of publication | 2601 |
a | 34.187 ± 0.006 Å |
b | 7.8516 ± 0.0013 Å |
c | 41.618 ± 0.007 Å |
α | 90° |
β | 113.969 ± 0.003° |
γ | 90° |
Cell volume | 10208 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1257 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Weighted residual factors for all reflections included in the refinement | 0.111 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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