Information card for entry 4307601

Structure parameters

• Common name: compound 1
• Formula: C96 H150 B2 Br2 N2 P2
• Calculated formula: C96 H150 B2 Br2 N2 P2
• Title of publication: Boron-Pnictogen Multiple Bonds: Donor-Stabilized PB and AsB Bonds and a Hindered Iminoborane with a B-N Triple Bond
• Authors of publication: Eric Rivard; W. Alexander Merrill; James C. Fettinger; Robert Wolf; Geoffrey H. Spikes; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2971 - 2978
• a: 16.0804 ± 0.0007 Å
• b: 16.9371 ± 0.0008 Å
• c: 17.56 ± 0.0008 Å
• α: 79.336 ± 0.001°
• β: 84.333 ± 0.001°
• γ: 83.061 ± 0.001°
• Cell volume: 4651.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No