Information card for entry 4513037

Structure parameters

• Formula: C18 H22 Cu N2 O6
• Calculated formula: C18 H22 Cu N2 O6
• 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: 9.505 ± 0.0019 Å
• b: 18.014 ± 0.004 Å
• c: 11.178 ± 0.002 Å
• α: 90°
• β: 106.04 ± 0.03°
• γ: 90°
• Cell volume: 1839.4 ± 0.7 ų
• Cell temperature: 100 ± 2 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: 0.0476
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No