Information card for entry 4119361

Structure parameters

• Formula: C4 H18 B2 Li2 N2
• Calculated formula: C4 H18 B2 Li2 N2
• Title of publication: Homopolar Dihydrogen Bonding in Alkali Metal Amidoboranes: Crystal Engineering of Low-Dimensional Molecular Materials
• Authors of publication: David J. Wolstenholme; Jenna Flogeras; Franklin N. Che; Andreas Decken; G. Sean McGrady
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2439 - 2442
• a: 10.541 ± 0.003 Å
• b: 10.544 ± 0.003 Å
• c: 9.821 ± 0.003 Å
• α: 90°
• β: 107.11 ± 0.004°
• γ: 90°
• Cell volume: 1043.2 ± 0.5 ų
• Cell temperature: 188 ± 1 K
• Ambient diffraction temperature: 188 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No