Information card for entry 7000988

Structure parameters

• Formula: C74 H64 B12 Cl16 N2 P4
• Calculated formula: C73.26 H63.36 B12 Cl15.96 N2 P3.96
• 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: 13.794 ± 0.002 Å
• b: 13.794 ± 0.002 Å
• c: 12.613 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2078.4 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No