Information card for entry 7202204

Structure parameters

• Formula: C33 H28 Cu I2 N2 O5
• Calculated formula: C33 H28 Cu I2 N2 O5
• Title of publication: Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units
• Authors of publication: Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1335
• a: 7.9727 ± 0.0017 Å
• b: 22.654 ± 0.005 Å
• c: 8.7259 ± 0.0019 Å
• α: 90°
• β: 105.636 ± 0.002°
• γ: 90°
• Cell volume: 1517.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No