Information card for entry 7231233

Structure parameters

• Formula: C18 H13 Cl N2 O2
• Calculated formula: C18 H13 Cl 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: 7.3112 ± 0.0007 Å
• b: 7.7033 ± 0.0007 Å
• c: 13.0401 ± 0.0012 Å
• α: 79.183 ± 0.003°
• β: 86.649 ± 0.003°
• γ: 88.692 ± 0.003°
• Cell volume: 720.09 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No