Information card for entry 4507792

Structure parameters

• Formula: C12 H19 Cu2 I3 N2 O2
• Calculated formula: C12 H19 Cu2 I3 N2 O2
• Title of publication: Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels
• Authors of publication: Gee, William J.; Batten, Stuart R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2335
• a: 8.471 ± 0.0017 Å
• b: 8.895 ± 0.0018 Å
• c: 12.919 ± 0.003 Å
• α: 107.31 ± 0.03°
• β: 91.8 ± 0.03°
• γ: 96.29 ± 0.03°
• Cell volume: 921.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No