Information card for entry 7049848

Structure parameters

• Formula: C66 H58 B2 Cl2 N4
• Calculated formula: C66 H58 B2 Cl2 N4
• Title of publication: Oxidative addition of elemental selenium to 1,4,2,5-diazadiborinine.
• Authors of publication: Goh, Gillian Kor Hwee; Li, Yongxin; Kinjo, Rei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7514 - 7518
• a: 8.032 ± 0.0002 Å
• b: 12.9483 ± 0.0003 Å
• c: 13.2734 ± 0.0003 Å
• α: 93.741 ± 0.0009°
• β: 92.4577 ± 0.0008°
• γ: 104.61 ± 0.0009°
• Cell volume: 1330.44 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No