Information card for entry 7049380

Structure parameters

• Formula: C52 H78 B4 N4
• Calculated formula: C52 H78 B4 N4
• Title of publication: Synthesis of a hydrogen-bridged tetraborane(6): a substituent effect of a diaminoboryl group toward the B-B multiple bond character.
• Authors of publication: Yagi, Atsumi; Kisu, Haruki; Yamashita, Makoto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5496 - 5499
• a: 48.944 ± 0.003 Å
• b: 12.4873 ± 0.0003 Å
• c: 21.702 ± 0.0014 Å
• α: 90°
• β: 129.509 ± 0.01°
• γ: 90°
• Cell volume: 10233.3 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No