Information card for entry 1556667

Structure parameters

• Formula: C24 H38 B4 Cr Mo2 O4
• Calculated formula: C24 H34 B4 Cr Mo2 O4
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14%15%16%17([c]%18([c]%10([c]%11([c]%12([c]%13%18C)C)C)C)C)[Cr]5(C#[O])(C#[O])(C#[O])(C#[O])[BH2]6%14[BH2]7%15[BH2]8%16[BH2]9%17)[c]5([c]4([c]3([c]2([c]15C)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: 19.454 ± 0.002 Å
• b: 13.243 ± 0.0011 Å
• c: 21.905 ± 0.002 Å
• α: 90°
• β: 94.494 ± 0.004°
• γ: 90°
• Cell volume: 5626 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1054
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No