Information card for entry 4342397

Structure parameters

• Formula: C32 H35 Mn2 Mo2 O9 P3
• Calculated formula: C32 H35 Mn2 Mo2 O9 P3
• SMILES: [Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11([P]%121([Mn]([P]27%12C)(C#[O])(C#[O])C#[O])[Mn](C#[O])(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]8[cH]9[cH]%11[cH]%101)(C#[O])[cH]1[cH]5[cH]6[cH]3[cH]41
• 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: 14.6509 ± 0.001 Å
• b: 15.6537 ± 0.001 Å
• c: 21.1404 ± 0.0012 Å
• α: 90°
• β: 133.254 ± 0.003°
• γ: 90°
• Cell volume: 3531.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No