Information card for entry 7231238

Structure parameters

• Formula: C18 H13 Br N2 O2
• Calculated formula: C18 H13 Br N2 O2
• Title of publication: Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence
• Authors of publication: Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 33
• Pages of publication: 4875
• a: 13.5398 ± 0.0016 Å
• b: 7.7569 ± 0.0009 Å
• c: 15.201 ± 0.0017 Å
• α: 90°
• β: 112.641 ± 0.003°
• γ: 90°
• Cell volume: 1473.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No