Information card for entry 4327407

Structure parameters

• Chemical name: [Cu(H2O)4][Cu4(CN)4I2]
• Formula: C4 H8 Cu5 I2 N4 O4
• Calculated formula: C4 H8 Cu5 I2 N4 O4
• 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: 7.0605 ± 0.0003 Å
• b: 15.8917 ± 0.0007 Å
• c: 7.5392 ± 0.0003 Å
• α: 90°
• β: 96.5 ± 0.002°
• γ: 90°
• Cell volume: 840.49 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No