Information card for entry 7062595

Structure parameters

• Formula: C7 H6 Cd I2 N2
• Calculated formula: C7 H6 Cd I2 N2
• Title of publication: Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study
• Authors of publication: Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 15209 - 15218
• a: 13.601 ± 0.003 Å
• b: 12.138 ± 0.002 Å
• c: 13.945 ± 0.003 Å
• α: 90°
• β: 94.52 ± 0.03°
• γ: 90°
• Cell volume: 2295 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No