Information card for entry 7231237

Structure parameters

• Formula: C36 H26 Cl4 Cu N4 O4
• Calculated formula: C36 H26 Cl4 Cu N4 O4
• 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: 7.766 ± 0.0006 Å
• b: 55.312 ± 0.004 Å
• c: 7.4689 ± 0.0005 Å
• α: 90°
• β: 91.983 ± 0.002°
• γ: 90°
• Cell volume: 3206.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No