Information card for entry 7240327

Structure parameters

• Formula: C22 H29 N3 O4 S Zn
• Calculated formula: C22 H29 N3 O4 S Zn
• Title of publication: A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors
• Authors of publication: Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.3882 ± 0.0012 Å
• b: 17.9996 ± 0.0019 Å
• c: 11.8463 ± 0.0015 Å
• α: 90°
• β: 108.327 ± 0.004°
• γ: 90°
• Cell volume: 2305.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No