Information card for entry 1556664

Structure parameters

• Formula: C24 H37 B4 Cr O4 W2
• Calculated formula: C24 H30 B4 Cr O4 W2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[W]167892345[BH2]23[BH2]41[BH2]16[BH2]7[W]567%109341([c]1([c]5([c]6([c]7([c]%101C)C)C)C)C)[Cr]82(C#[O])(C#[O])(C#[O])C#[O])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: 23.323 ± 0.005 Å
• b: 14.555 ± 0.003 Å
• c: 17.009 ± 0.007 Å
• α: 90°
• β: 90 ± 0.01°
• γ: 90°
• Cell volume: 5774 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2386
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No