Information card for entry 7025073

Structure parameters

• Formula: C28 H40 Mo O4 P2
• Calculated formula: C28 H40 Mo O4 P2
• SMILES: [Mo]1([P]2(Cc3ccccc3C[P]31C(C(C3(C)C)C)(C)C)C(C(C2(C)C)C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Coordination chemistry of cis,cis and trans,trans 1,1'-[1,2-phenylenebis(methylene)]bis(2,2,3,4,4-pentamethylphosphetane).
• Authors of publication: Coleman, Dennis; Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3842 - 3850
• a: 12.596 ± 0.0002 Å
• b: 17.2901 ± 0.0003 Å
• c: 13.8362 ± 0.0002 Å
• α: 90°
• β: 105.589 ± 0.0007°
• γ: 90°
• Cell volume: 2902.49 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No