Information card for entry 7050035

Structure parameters

• Formula: C10 H8 Cu N4 O6
• Calculated formula: C10 H8 Cu N4 O6
• Title of publication: A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer
• Authors of publication: Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 434
• a: 7.8122 ± 0.0008 Å
• b: 7.8122 ± 0.0008 Å
• c: 20.232 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No