Information card for entry 7116578

Structure parameters

• Formula: C25 H34 B3 Cl Mo2 O5 W
• Calculated formula: C25 H34 B3 Cl Mo2 O5 W
• SMILES: C[c]12[c]3([c]4([c]5([c]1(C)[Mo]1672345(C(=O)[W]2(C#[O])(C#[O])(C#[O])[BH]37[BH]46[BH]51[Mo]167834([c]3([c]8([c]7([c]6([c]13C)C)C)C)C)([Cl]2)[H]5)C#[O])C)C)C
• Title of publication: An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster
• Authors of publication: Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3828
• a: 9.0059 ± 0.0008 Å
• b: 18.5886 ± 0.0014 Å
• c: 17.7675 ± 0.0014 Å
• α: 90°
• β: 99.389 ± 0.002°
• γ: 90°
• Cell volume: 2934.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No