Information card for entry 4348194

Structure parameters

• Formula: C36 H30 Cl2 Hg N6 O4
• Calculated formula: C36 H30 Cl2 Hg N6 O4
• SMILES: c1[n](ccn1CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)[Hg]([n]1cn(cc1)CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)(Cl)Cl
• Title of publication: Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties
• Authors of publication: Nath, Jayanta Kumar; Baruah, Jubaraj B.
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 342
• a: 14.7824 ± 0.0003 Å
• b: 12.0395 ± 0.0003 Å
• c: 19.7994 ± 0.0005 Å
• α: 90°
• β: 104.923 ± 0.002°
• γ: 90°
• Cell volume: 3404.91 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No