Information card for entry 4337123

Structure parameters

• Formula: C12 H14 B Be F N8
• Calculated formula: C12 H14 B Be F N8
• SMILES: [Be]1(F)([n]2[nH]ccc2)[n]2n([BH](n3ccc[n]13)n1cccn1)ccc2
• Title of publication: Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.
• Authors of publication: Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1241 - 1249
• a: 7.7207 ± 0.0008 Å
• b: 15.7986 ± 0.0017 Å
• c: 12.7865 ± 0.0013 Å
• α: 90°
• β: 101.13 ± 0.006°
• γ: 90°
• Cell volume: 1530.3 ± 0.3 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No