Information card for entry 4340278

Structure parameters

• Chemical name: trimethylammonium-2,4-diiodo-nido-7,8-dicarbanonacarborane
• Formula: C5 H20 B9 I2 N
• Calculated formula: C5 H20 B9 I2 N
• SMILES: [BH]1234[B]567(I)[BH]891[B]1%102(I)[BH]2%113[BH]345[BH]45%11[H][BH]%1025[CH]91[CH]68[BH]734.[NH+](C)(C)C
• Title of publication: Synthesis and structural characterization of symmetrical closo-4,7-I2-1,2-C2B10H10 and [(CH3)3NH][nido-2,4-I2-7,8-C2B9H10].
• Authors of publication: Ramachandran, Bhaskar M.; Knobler, Carolyn B.; Hawthorne, M. Frederick
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 336 - 340
• a: 14.1141 ± 0.0007 Å
• b: 7.0276 ± 0.0004 Å
• c: 16.4602 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.66 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No