Information card for entry 7246328

Structure parameters

• Formula: C60 H40 Cd N12 O16
• Calculated formula: C60 H40 Cd N12 O16
• SMILES: [Cd]123([O]=C4N([NH2]2)C(=O)c2c5c4cccc5ccc2)([O]=C2N([NH2]1)C(=O)c1c4c2cccc4ccc1)(ON(=O)=O)[O]=C1N([NH2]3)C(=O)c2c3c1cccc3ccc2.O=C1N(N)C(=O)c2c3c1cccc3ccc2.O=C1N(N)C(=O)c2c3c1cccc3ccc2.N(=O)(=O)[O-]
• Title of publication: Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide
• Authors of publication: Sendh, Jagajiban; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 1928 - 1940
• a: 13.2629 ± 0.0007 Å
• b: 14.3481 ± 0.0008 Å
• c: 16.6357 ± 0.001 Å
• α: 96.631 ± 0.005°
• β: 104.242 ± 0.005°
• γ: 116.913 ± 0.005°
• Cell volume: 2640.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No