Information card for entry 4313745

Structure parameters

• Formula: C6 H6 Cu N6 O4
• Calculated formula: C6 H6 Cu N6 O4
• Title of publication: Structures and Magnetic Behavior of 1-, 2-, and 3D Coordination Polymers in the Cu(II)-Dicyanamide-Pyrimidine Family
• Authors of publication: Jamie L. Manson; Jiyeong Gu; John A. Schlueter; H.-Hau Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3950 - 3955
• a: 7.6475 ± 0.0003 Å
• b: 12.2422 ± 0.0005 Å
• c: 11.0286 ± 0.0004 Å
• α: 90°
• β: 106.585 ± 0.002°
• γ: 90°
• Cell volume: 989.57 ± 0.07 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No