Information card for entry 4341289

Structure parameters

• Formula: C33 H39 Mn Mo2 O5 P2
• Calculated formula: C33 H39 Mn Mo2 O5 P2
• SMILES: [Mo]12345([P](C6CCCCC6)(C6CCCCC6)[Mo]6789(P1[Mn]1%10%11%12(C#[O])(C#[O])[c]%13([cH]%12[cH]%11[cH]%10[cH]1%13)C)(C#[O])(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]61)(C#[O])[cH]1[cH]2[cH]5[cH]4[cH]31
• Title of publication: Mild P-P Bond Cleavage in the Methyldiphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2] To Give Novel Phosphide-Bridged Trinuclear Derivatives.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11261 - 11273
• a: 10.9898 ± 0.0003 Å
• b: 15.1118 ± 0.0004 Å
• c: 19.6212 ± 0.0009 Å
• α: 90°
• β: 100.84 ± 0.004°
• γ: 90°
• Cell volume: 3200.5 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0686
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No