Information card for entry 7241805

Structure parameters

• Formula: C41.5 H47.5 N3.5 Na O9.5 Zn
• Calculated formula: C41.5 H42 N3.5 Na O9.5 Zn
• 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: 10.508 ± 0.002 Å
• b: 14.186 ± 0.003 Å
• c: 14.263 ± 0.003 Å
• α: 111.15 ± 0.03°
• β: 97.39 ± 0.03°
• γ: 90.01 ± 0.03°
• Cell volume: 1964 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1048
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2361
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No