Information card for entry 7241801

Structure parameters

• Formula: C62 H50 Cd2 N2 O8
• Calculated formula: C62 H50 Cd2 N2 O8
• Title of publication: Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores
• Authors of publication: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 569 - 590
• a: 26.397 ± 0.005 Å
• b: 11.976 ± 0.002 Å
• c: 29.443 ± 0.006 Å
• α: 90°
• β: 97.51 ± 0.03°
• γ: 90°
• Cell volume: 9228 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2892
• Weighted residual factors for all reflections included in the refinement: 0.3192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.95372 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No