Information card for entry 4066791

Structure parameters

• Formula: C16 H26 B10 N2
• Calculated formula: C16 H26 B10 N2
• SMILES: [C]1234([C]567(C)[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@H](c1ccccn1)NCc1ccccc1
• 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: 8.6992 ± 0.0002 Å
• b: 12.0556 ± 0.0003 Å
• c: 19.1699 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2010.43 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No