Information card for entry 4305381

Structure parameters

• Formula: C2 H10 B10 I2
• Calculated formula: C2 H10 B10 I2
• SMILES: I[B]1234[CH]567[CH]891[B]1%107(I)[BH]7%116[BH]625[BH]254[BH]438[BH]39%10[BH]81%11[BH]762[BH]5438
• 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: 9.0602 ± 0.0004 Å
• b: 17.4247 ± 0.0017 Å
• c: 7.7457 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.8 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No