Information card for entry 7035371

Structure parameters

• Formula: C34 H39 Co2 Mo2 O6 P S
• Calculated formula: C34 H39 Co2 Mo2 O6 P S
• SMILES: [Mo]123456([Co]78([Co]1([P]17[Mo]79%10%11%12%13%14%15%16([cH]%17[cH]7[cH]9[cH]%10[cH]%11%17)[cH]7[c]%12([cH]%13[c]%14([c]1%15[c]%167C(C)(C)C)C(C)(C)C)C(C)(C)C)([S]28)(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.
• Authors of publication: Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1937 - 1952
• a: 10.7899 ± 0.0002 Å
• b: 11.8705 ± 0.0002 Å
• c: 31.0457 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3976.38 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No