Information card for entry 1517785

Structure parameters

• Formula: C12 H6 Br2 N2
• Calculated formula: C12 H6 Br2 N2
• 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: 14.562 ± 0.004 Å
• b: 14.562 ± 0.004 Å
• c: 5.852 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1240.9 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No