Information card for entry 1562442

Structure parameters

• Formula: C45 H36 N4 O12 S2 Zn2
• Calculated formula: C45 H36 N4 O12 S2 Zn2
• Title of publication: Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity
• Authors of publication: Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 213
• Pages of publication: 43 - 51
• a: 12.467 ± 0.002 Å
• b: 23.356 ± 0.004 Å
• c: 21.516 ± 0.004 Å
• α: 90°
• β: 104.907 ± 0.004°
• γ: 90°
• Cell volume: 6054.2 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1806
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No