Information card for entry 7120826

Structure parameters

• Formula: C39 H26 Cl2 Co N6 O4
• Calculated formula: C39 H26 Cl2 Co N6 O4
• Title of publication: Supramolecular coordination polymers using a close to ‘V-shaped’ fluorescent 4-amino-1,8-naphthalimide Tröger’s base scaffold
• Authors of publication: Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; Hawes, Chris Samuel; Savyasachi, A. J.; Blasco, Salvador; Kitchen, Jonathan A.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.5714 ± 0.0013 Å
• b: 17.6017 ± 0.0014 Å
• c: 28.163 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7719 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.99 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.3083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No