Information card for entry 4341286

Structure parameters

• Formula: C28 H35 Fe Mo2 O5 P3
• Calculated formula: C28 H35 Fe Mo2 O5 P3
• SMILES: [Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11([P]1([Fe](P49)(C#[O])(C#[O])C#[O])C)(C#[O])[cH]1[cH]8[cH]7[cH]%11[cH]%101)(C#[O])[cH]1[cH]5[cH]6[cH]3[cH]21
• 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: 9.9099 ± 0.0002 Å
• b: 23.5511 ± 0.0005 Å
• c: 15.7915 ± 0.0004 Å
• α: 90°
• β: 116.591 ± 0.002°
• γ: 90°
• Cell volume: 3295.72 ± 0.14 ų
• Cell temperature: 100.2 ± 0.2 K
• Ambient diffraction temperature: 100 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No