Information card for entry 4326330

Structure parameters

• Formula: C26 H37 B3 Fe2 O7 Ta2
• Calculated formula: C26 H34 B3 Fe2 O7 Ta2
• SMILES: [B]1234[BH]56[O]7[Ta]89%10%11%1215([B]15[Fe]%13%12(C#[O])(C#[O])(C#[O])[Fe]%121(C#[O])(C#[O])(C#[O])[Ta]1%14%15%162675%13([c]2([c]1([c]%15([c]%16([c]%142C)C)C)C)C)([H]4)[H]%12)([c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[H]3
• Title of publication: Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters
• Authors of publication: Shubhankar Kumar Bose; K. Geetharani; Satyanarayan Sahoo; K. Hari Krishna Reddy; Babu Varghese; Eluvathingal D. Jemmis; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9414 - 9422
• a: 10.362 ± 0.005 Å
• b: 8.747 ± 0.005 Å
• c: 34.653 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.544 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3114 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No