Information card for entry 4305380

Structure parameters

• Formula: C3 H13 B10 I
• Calculated formula: C3 H13 B10 I
• Title of publication: Designed Synthesis of New ortho-Carborane Derivatives: from Mono- to Polysubstituted Frameworks
• Authors of publication: Gemma Barberà; Albert Vaca; Francesc Teixidor; Reijo Sillanpää; Raikko Kivekäs; Clara Viñas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7309 - 7316
• a: 7.2615 ± 0.0002 Å
• b: 9.6534 ± 0.0003 Å
• c: 8.0861 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 566.82 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No