Information card for entry 4348199

Structure parameters

• Formula: C38 H30 N8 O4 S2 Zn
• Calculated formula: C38 H30 N8 O4 S2 Zn
• SMILES: c1[n](ccn1CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)[Zn]([n]1cn(cc1)CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)(N=C=S)N=C=S
• 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: 14.5214 ± 0.0004 Å
• b: 14.1478 ± 0.0005 Å
• c: 22.8454 ± 0.0008 Å
• α: 90°
• β: 128.618 ± 0.002°
• γ: 90°
• Cell volume: 3667.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No