Information card for entry 1100759

Structure parameters

• Formula: C4 H10 Cu3 N4 O5
• Calculated formula: C4 H10 Cu3 N4 O5
• Title of publication: A Unique Cyanide-Bridged Three-Dimensional (3-D) Copper(II)-Copper(I) Mixed-Valence Polymer Containing 1-D Water Tapes with Cyclic Pentamer Units
• Authors of publication: Ji-Min Zheng; Stuart R. Batten; Miao Du
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3371 - 3373
• a: 6.72 ± 0.002 Å
• b: 9.494 ± 0.003 Å
• c: 10.682 ± 0.003 Å
• α: 111.979 ± 0.004°
• β: 96.879 ± 0.005°
• γ: 106.678 ± 0.005°
• Cell volume: 585.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No