Information card for entry 4066790

Structure parameters

• Formula: C18 H30 B10 N2
• Calculated formula: C18 H30 B10 N2
• SMILES: [C]1234([C]567(c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)C(c1ccccn1)N(CC)CC
• Title of publication: closo-o-Carboranylmethylamine−Pyridine Associations: Synthesis, Characterization, and First Complexation Studies
• Authors of publication: Terrasson, Vincent; Planas, José Giner; Viñas, Clara; Teixidor, Francesc; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4130
• a: 10.3191 ± 0.0003 Å
• b: 17.9523 ± 0.0006 Å
• c: 11.9854 ± 0.0004 Å
• α: 90°
• β: 99.871 ± 0.002°
• γ: 90°
• Cell volume: 2187.45 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No