Information card for entry 4507795

Structure parameters

• Formula: C27 H32 Cu3 I4 K N4 O8
• Calculated formula: C27 H32 Cu3.00667 I3.99333 K N4 O8
• 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: 19.275 ± 0.003 Å
• b: 19.275 ± 0.003 Å
• c: 13.123 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4222.3 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.710698 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No