Information card for entry 1517782

Structure parameters

• Formula: C12 H7 B Br F4 N2 Na
• Calculated formula: C12 H7 B Br F4 N2 Na
• SMILES: [B](F)(F)(F)[F-].c1ccc2ccc3c(ncc(Br)c3)c2n1.[Na+]
• Title of publication: Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands
• Authors of publication: Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 405
• Pages of publication: 1 - 8
• a: 7.1267 ± 0.0014 Å
• b: 22.64 ± 0.005 Å
• c: 17.917 ± 0.004 Å
• α: 90°
• β: 108.39 ± 0.03°
• γ: 90°
• Cell volume: 2743.2 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No