Information card for entry 7057561

Structure parameters

• Formula: C93 H69 Cl8 N12 O21 Zn6
• Calculated formula: C93 H69 Cl8 N12 O21 Zn6
• Title of publication: Effect on Schottky behaviour of 1D coordination polymers by altering para-substituents on benzoate ligands
• Authors of publication: Islam, Sakhiul; Datta, Joydeep; Ahmed, Faruk; Dutta, Basudeb; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13971
• a: 12.019 ± 0.0003 Å
• b: 14.1254 ± 0.0002 Å
• c: 16.0929 ± 0.0004 Å
• α: 109.094 ± 0.0017°
• β: 100.016 ± 0.0019°
• γ: 98.6977 ± 0.0016°
• Cell volume: 2478.09 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No