Information card for entry 4507796

Structure parameters

• Formula: C24 H40 Cl3.4 Cu2 I2.6 N4 O4
• Calculated formula: C24 H40 Cl3.4 Cu2 I2.6 N4 O4
• 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: 10.9151 ± 0.0002 Å
• b: 11.4972 ± 0.0002 Å
• c: 13.0904 ± 0.0003 Å
• α: 90°
• β: 91.945 ± 0.001°
• γ: 90°
• Cell volume: 1641.81 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No