Information card for entry 4310712

Structure parameters

• Formula: C64 H52 Cu5 N8 O18
• Calculated formula: C64 H48 Cu5 N8 O18
• Title of publication: An Unusual Mixed-Valence Cu(I)-Cu(II) 3-D Framework
• Authors of publication: Hong Zhao; Zhi-Rong Qu; Qiong Ye; Xi-Sen Wang; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1813 - 1815
• a: 15.913 ± 0.002 Å
• b: 21.616 ± 0.004 Å
• c: 42.739 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14701 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.2032
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.3197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No