Information card for entry 4311923

Structure parameters

• Formula: C12 H16 N5 O5 Zn0.5
• Calculated formula: C12 H16 N5 O5 Zn0.5
• Title of publication: Formation of One-Dimensional Metal-Water Chain Containing Cyclic Water Hexamers
• Authors of publication: Bao-Hui Ye; Bing-Bing Ding; Yan-Qin Weng; Xiao-Ming Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6866 - 6868
• a: 8.757 ± 0.004 Å
• b: 9.427 ± 0.004 Å
• c: 10.313 ± 0.005 Å
• α: 104.909 ± 0.008°
• β: 101.03 ± 0.007°
• γ: 107.872 ± 0.007°
• Cell volume: 748.4 ± 0.6 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: 0.036
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No