Information card for entry 7241810

Structure parameters

• Formula: C62 H50 N2 O8.67 Zn2.67
• Calculated formula: C62 H50 N2 O8.66667 Zn2.66667
• 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: 23.24 ± 0.005 Å
• b: 30.59 ± 0.006 Å
• c: 33.17 ± 0.007 Å
• α: 74.89 ± 0.03°
• β: 77.68 ± 0.03°
• γ: 86.47 ± 0.03°
• Cell volume: 22241 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.3863
• Weighted residual factors for all reflections included in the refinement: 0.4179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No