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Information card for entry 7042474
Preview
Coordinates | 7042474.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H71 B Mo2 O2 P2 S2 |
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Calculated formula | C59 H71 B Mo2 O2 P2 S2 |
SMILES | [Mo]1234([P]5(C(=S)S[Mo]6789%10%11%12%13%14([c]%155[cH]6[cH]7[cH]8[cH]9%15)[cH]5[c]%10([cH]%11[c]%12([cH]%13[c]%145C(C)(C)C)C(C)(C)C)C(C)(C)C)C)([P](C)(C)C)(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)]. |
Authors of publication | Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 11 |
Pages of publication | 3510 - 3525 |
a | 9.7425 ± 0.0004 Å |
b | 15.702 ± 0.0006 Å |
c | 18.4172 ± 0.0006 Å |
α | 86.02 ± 0.003° |
β | 76.784 ± 0.003° |
γ | 89.573 ± 0.003° |
Cell volume | 2736.07 ± 0.18 Å3 |
Cell temperature | 155 ± 6 K |
Ambient diffraction temperature | 155 ± 6 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7042474.html
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