Information card for entry 7231482

Structure parameters

• Formula: C32 H28 N4 O2 S2
• Calculated formula: C32 H28 N4 O2 S2
• Title of publication: Electrical property and Schottky behavior of a flexible Schiff-base compound: X-ray structure and stabilization of 1D water chain.
• Authors of publication: Dutta, Basudeb; Datta, Joydeep; Maity, Suvendu; Sinha, Chittaranjan; Sun, Di; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 24744 - 24749
• a: 5.4376 ± 0.0002 Å
• b: 8.0683 ± 0.0004 Å
• c: 17.0332 ± 0.0009 Å
• α: 77.328 ± 0.003°
• β: 84.635 ± 0.003°
• γ: 80.612 ± 0.003°
• Cell volume: 718.02 ± 0.06 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: 0.0902
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No