Information card for entry 4350006

Structure parameters

• Formula: C77 H49 Cl4 N12 O19 Zn4
• Calculated formula: C77 H49 Cl4 N12 O19 Zn4
• Title of publication: Synthesis of a Zn(ii)-based 1D zigzag coordination polymer for the fabrication of optoelectronic devices with remarkably high photosensitivity
• Authors of publication: Dutta, Basudeb; Das, Dhananjoy; Datta, Joydeep; Chandra, Angeera; Jana, Srikanta; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1245
• a: 14.6802 ± 0.0006 Å
• b: 16.8579 ± 0.0009 Å
• c: 16.1761 ± 0.0007 Å
• α: 90°
• β: 96.378 ± 0.003°
• γ: 90°
• Cell volume: 3978.4 ± 0.3 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: 0.0461
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No