Information card for entry 7057562

Structure parameters

• Formula: C93 H66 Br8 N12 O21 Zn6
• Calculated formula: C93 H66 Br8 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: 12.0085 ± 0.0007 Å
• b: 14.3222 ± 0.0008 Å
• c: 16.2643 ± 0.0009 Å
• α: 110.576 ± 0.002°
• β: 100.003 ± 0.002°
• γ: 98.071 ± 0.002°
• Cell volume: 2516.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No