Information card for entry 4128375

Structure parameters

• Formula: C55 H110 B6 N2 O2 P2 Si4
• Calculated formula: C55 H110 B6 N2 O2 P2 Si4
• Title of publication: Crystalline Tetraatomic Boron(0) Species.
• Authors of publication: Lu, Wei; Li, Yongxin; Kinjo, Rei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 13
• Pages of publication: 5164 - 5168
• a: 18.1486 ± 0.0005 Å
• b: 20.9685 ± 0.0006 Å
• c: 18.7151 ± 0.0005 Å
• α: 90°
• β: 109.125 ± 0.001°
• γ: 90°
• Cell volume: 6728.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No