Information card for entry 7007684

Structure parameters

• Formula: C6 H21 B8 N
• Calculated formula: C6 H21 B8 N
• SMILES: [NH]1(C(C)(C)C)[BH]23[CH]45[CH]67[BH]894[BH]425[BH]258[BH]869[BH]65([BH]342[H]6)[BH]178
• Title of publication: The first member of the eleven-vertex azadicarbaborane series, 1,6,9-NC2B8H13, and its N-alkyl derivatives.
• Authors of publication: Janousek, Zbynek; Dostál, Radim; Machácek, Jan; Hnyk, Drahomír; Stíbr, Bohumil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4664 - 4671
• a: 22.8108 ± 0.0007 Å
• b: 24.1768 ± 0.001 Å
• c: 8.9796 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4952.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No