Information card for entry 7232630

Structure parameters

• Formula: C43 H40 Cu2 N3 O9.5
• Calculated formula: C43 H40 Cu2 N3 O9.5
• 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: 10.954 ± 0.002 Å
• b: 13.627 ± 0.003 Å
• c: 14.312 ± 0.003 Å
• α: 101.03 ± 0.03°
• β: 106.14 ± 0.03°
• γ: 94.29 ± 0.03°
• Cell volume: 1995.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1077
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No