Information card for entry 4001048

Structure parameters

• Formula: C20 H28 B Li N8
• Calculated formula: C20 H28 B Li N8
• SMILES: [B](n1cc(C)nc1C)(n1c(C)nc(c1)C)(n1c(C)nc(c1)C)n1c(C)nc(c1)C.[Li+]
• Title of publication: Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks
• Authors of publication: Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3830
• a: 16.3138 ± 0.0001 Å
• b: 16.3138 ± 0.0001 Å
• c: 16.3138 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4341.76 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No