Information card for entry 7038348

Structure parameters

• Formula: C72 H104 B2 Cu2 N16 O4
• Calculated formula: C71 H74 B2 Cu2 N17 O4
• Title of publication: Synthesis of borocarbonitride from a multifunctional Cu(i) boron imidazolate framework.
• Authors of publication: Wen, Tian; Chen, Er-Xia; Zhang, De-Xiang; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5223 - 5228
• a: 12.3677 ± 0.0012 Å
• b: 12.7886 ± 0.0012 Å
• c: 14.2243 ± 0.0013 Å
• α: 109.825 ± 0.009°
• β: 115.576 ± 0.009°
• γ: 96.582 ± 0.008°
• Cell volume: 1816.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1756
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No