Information card for entry 4309640

Structure parameters

• Formula: C6 H6 N2 O4 P Zn
• Calculated formula: C6 H6 N2 O4 P Zn
• Title of publication: Novel Zinc Phosphate Topologies Defined by Organic Ligands
• Authors of publication: Jian Fan; Brian E. Hanson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6998 - 7008
• a: 5.2956 ± 0.0006 Å
• b: 20.243 ± 0.002 Å
• c: 7.5816 ± 0.0009 Å
• α: 90°
• β: 100.041 ± 0.01°
• γ: 90°
• Cell volume: 800.29 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No