Information card for entry 4513038

Structure parameters

• Formula: C21 H28 Cu N3 O6.5
• Calculated formula: C21 H27 Cu N3 O6.5
• Title of publication: Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers
• Authors of publication: Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3417
• a: 19.824 ± 0.004 Å
• b: 17.458 ± 0.004 Å
• c: 14.066 ± 0.003 Å
• α: 90°
• β: 114.58 ± 0.03°
• γ: 90°
• Cell volume: 4427 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0672
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No