Information card for entry 1517783

Structure parameters

• Formula: C12 H6 B Br2 F4 N2 Na
• Calculated formula: C12 H6 B Br2 F4 N2 Na
• SMILES: [Na]1[n]2cc(Br)cc3ccc4cc(Br)c[n]1c4c23.[B](F)(F)(F)[F-]
• 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: 14.532 ± 0.003 Å
• b: 5.026 ± 0.001 Å
• c: 19.667 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No