Information card for entry 7241802

Structure parameters

• Formula: C50 H55 Mn2 N3 O11
• Calculated formula: C50 H55 Mn2 N3 O11
• 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: 34.247 ± 0.007 Å
• b: 13.083 ± 0.003 Å
• c: 10.812 ± 0.002 Å
• α: 90°
• β: 91.17 ± 0.03°
• γ: 90°
• Cell volume: 4843.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No