Information card for entry 1556665

Structure parameters

• Formula: C24 H30 B4 Mo O4 W2
• Calculated formula: C24 H30 B4 Mo O4 W2
• SMILES: [W]123456789([W]%10%11%12%13%14%15%16%17([Mo]1([BH2]2%10[BH2]3%11[BH2]4%12[BH2]5%13)(C#[O])(C#[O])(C#[O])C#[O])[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond
• Authors of publication: Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 27
• a: 16.3096 ± 0.0016 Å
• b: 18.8186 ± 0.0018 Å
• c: 19.9272 ± 0.0018 Å
• α: 85.532 ± 0.003°
• β: 71.947 ± 0.003°
• γ: 89.111 ± 0.003°
• Cell volume: 5797.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No