Information card for entry 7241815

Structure parameters

• Formula: C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67
• Calculated formula: C42 H43.3333 N3.33333 Na1.33333 O9.33333 Zr0.666667
• 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: 12.33 ± 0.003 Å
• b: 18.33 ± 0.004 Å
• c: 18.92 ± 0.004 Å
• α: 66.42 ± 0.03°
• β: 77.02 ± 0.03°
• γ: 74.7 ± 0.03°
• Cell volume: 3745.7 ± 1.7 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: 0.0755
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No