Information card for entry 7061504

Structure parameters

• Formula: C65 H65 Cd2 N7 O13
• Calculated formula: C65 H65 Cd2 N7 O13
• Title of publication: Design and construction of polyaromatic group containing Cd(ii)-based coordination polymers for solvent-free Strecker-type cyanation of acetals
• Authors of publication: Karmakar, Anirban; Paul, Anup; Santos, Pedro M. R.; Santos, Inês R. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 10201 - 10212
• a: 10.2598 ± 0.0008 Å
• b: 17.9419 ± 0.0015 Å
• c: 34.346 ± 0.003 Å
• α: 90°
• β: 94.262 ± 0.003°
• γ: 90°
• Cell volume: 6304.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No