Information card for entry 7000987

Structure parameters

• Formula: B12 Cl12 N2 O4 S
• Calculated formula: B12 Cl12 N2 O4 S
• Title of publication: Synthesis and characterization of synthetically useful salts of the weakly-coordinating dianion [B12Cl12]2−
• Authors of publication: Geis, Vanessa; Guttsche, Kristin; Knapp, Carsten; Scherer, Harald; Uzun, Rabiya
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2687 - 2694
• a: 9.5023 ± 0.0019 Å
• b: 15.218 ± 0.003 Å
• c: 15.758 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2278.7 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No