Information card for entry 4332389

Structure parameters

• Formula: C28 H18 Mo2 O6
• Calculated formula: C28 H18 Mo2 O6
• SMILES: C([Mo]1234([cH]5[cH]1[cH]2[cH]3[c]45c1ccccc1)(C#[O])(C#[O])[Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45c1ccccc1)#[O]
• Title of publication: Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†
• Authors of publication: Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5852 - 5866
• a: 7.577 ± 0.005 Å
• b: 12.608 ± 0.005 Å
• c: 25.024 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2390.6 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No