Information card for entry 7113742

Structure parameters

• Formula: C12 H8 Cu I2 N2 O4
• Calculated formula: C12 H8 Cu I2 N2 O4
• Title of publication: A unique eclipsed 2-D coordination polymer with removable iodine molecules in the open-channel structure
• Authors of publication: Lu, Jack Y.; Babb, Amy M.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1346 - 1347
• a: 5.7951 ± 0.0004 Å
• b: 12.6459 ± 0.0009 Å
• c: 10.8155 ± 0.0008 Å
• α: 90°
• β: 91.253 ± 0.001°
• γ: 90°
• Cell volume: 792.42 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103686
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No