Information card for entry 4342395

Structure parameters

• Formula: C35 H35 Mo2 O12 P3 W2
• Calculated formula: C35 H35 Mo2 O12 P3 W2
• SMILES: [Mo]123456([Mo]789%10%11([P]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P]17[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].
• Authors of publication: Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2455
• a: 9.7933 ± 0.0004 Å
• b: 16.7512 ± 0.0005 Å
• c: 12.9168 ± 0.0004 Å
• α: 90°
• β: 107.248 ± 0.003°
• γ: 90°
• Cell volume: 2023.7 ± 0.12 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No