Information card for entry 7035370

Structure parameters

• Formula: C35 H43 Co3 Mo N O7 P S
• Calculated formula: C35 H43 Co3 Mo N O7 P S
• SMILES: [Co]12([Co]34([Co]1([P]13[Mo]356789%10(C#[N]C(C)(C)C)([cH]%11[cH]7[cH]6[cH]5[cH]3%11)[C]31=[C]8([CH]9=[C]%10(C=C3C(C)(C)C)C(C)(C)C)C(C)(C)C)([S]24)(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 16.0551 ± 0.0008 Å
• b: 12.1292 ± 0.0004 Å
• c: 20.0465 ± 0.0009 Å
• α: 90°
• β: 94.039 ± 0.002°
• γ: 90°
• Cell volume: 3894.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No