Information card for entry 7232624

Structure parameters

• Formula: C40 H38 Cl2 N2 O8
• Calculated formula: C40 H38 Cl2 N2 O8
• Title of publication: p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers
• Authors of publication: Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3074
• a: 21.074 ± 0.004 Å
• b: 12.547 ± 0.003 Å
• c: 14.06 ± 0.003 Å
• α: 90°
• β: 105.68 ± 0.03°
• γ: 90°
• Cell volume: 3579.3 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No