Information card for entry 7005202

Structure parameters

• Formula: C7 H8 Cd Cu N3 O2
• Calculated formula: C6.9996 H8.0016 Cd Cu N3 O2
• Title of publication: Crystal structure and dynamic properties of a bimetallic cyano complex Cd(C4H8O2)Cu(CN)3 with an interpenetrating 3D framework containing a 1,4-dioxane bridging ligand as a rotor.
• Authors of publication: Sato, Naoki; Nishikiori, Shin-Ichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1115 - 1119
• a: 9.073 ± 0.004 Å
• b: 9.073 ± 0.004 Å
• c: 7.607 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 542.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.710688 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No