Information card for entry 7025035

Structure parameters

• Formula: C20 H24 B Li N8 O4
• Calculated formula: C20 H24 B Li N8 O4
• SMILES: [B-](n1ccnc1C)(n1ccnc1C)(n1ccnc1C)n1ccnc1C.[Li]12([OH]CC[OH]1)[OH]CC[OH]2
• Title of publication: Hydrogen-bonded boron imidazolate frameworks.
• Authors of publication: Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1702 - 1704
• a: 10.1374 ± 0.0009 Å
• b: 10.1374 ± 0.0009 Å
• c: 24.286 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2495.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No