Information card for entry 4327403

Structure parameters

• Chemical name: Potassium iodocyanocuprate
• Formula: C6 Cu6 I3 K3 N6 O2
• Calculated formula: C6 Cu6 I3 K3 N6 O2
• Title of publication: Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides
• Authors of publication: Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8040 - 8048
• a: 13.0622 ± 0.0004 Å
• b: 13.1167 ± 0.0004 Å
• c: 13.4592 ± 0.0004 Å
• α: 90°
• β: 107.684 ± 0.002°
• γ: 90°
• Cell volume: 2197.04 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No