Information card for entry 4327408

Structure parameters

• Chemical name: [Cu(H2o)4][Cu2(CN)I2]2
• Formula: C2 H8 Cu5 I4 N2 O4
• Calculated formula: C2 H8 Cu5 I4 N2 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: 7.1656 ± 0.0002 Å
• b: 7.2939 ± 0.0002 Å
• c: 8.7309 ± 0.0003 Å
• α: 79.4398 ± 0.0016°
• β: 80.3343 ± 0.0016°
• γ: 73.1499 ± 0.0017°
• Cell volume: 426.13 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0376
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No