Information card for entry 1517781

Structure parameters

• Formula: C24 H14 B Br2 F4 N4 Na
• Calculated formula: C24 H14 B Br2 F4 N4 Na
• SMILES: [Na]123([n]4c5c(cc(Br)c4)ccc4ccc[n]1c54)([n]1c4c(cc(Br)c1)ccc1ccc[n]2c14)[F][B](F)(F)[F]3
• 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: 17.636 ± 0.004 Å
• b: 13.429 ± 0.003 Å
• c: 11.648 ± 0.002 Å
• α: 90°
• β: 118.06 ± 0.03°
• γ: 90°
• Cell volume: 2434.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No