Information card for entry 4313559

Structure parameters

• Common name: tetrakis(imidazolyl)borate conjugate acid
• Formula: C12 H13 B N8
• Calculated formula: C12 H13 B N8
• SMILES: n1cn(cc1)[B](n1cncc1)([n]1c[nH]cc1)n1ccnc1
• Title of publication: Tetrakis(imidazolyl)borate-Based Coordination Polymers: Group II Network Solids, M[B(Im)4]2(H2O)2 (M = Mg, Ca, Sr)
• Authors of publication: Barton H. Hamilton; Kathryn A. Kelly; Wilhelm Malasi; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3067 - 3073
• a: 7.101 ± 0.002 Å
• b: 9.989 ± 0.003 Å
• c: 9.209 ± 0.003 Å
• α: 90°
• β: 93.932 ± 0.006°
• γ: 90°
• Cell volume: 651.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No