Information card for entry 4503163

Structure parameters

• Formula: C12 H10 Cu3 N2 O12 P2
• Calculated formula: C12 H10 Cu3 N2 O12 P2
• Title of publication: Copper Phosphonates based on 2-Phosphonic-isonicotinate: Structures and Magnetic Properties
• Authors of publication: Yang, Yi-Fan; Ma, Yun-Sheng; Guo, Li-Rong; Zheng, Li-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1213
• a: 15.913 ± 0.005 Å
• b: 6.016 ± 0.0016 Å
• c: 18.043 ± 0.005 Å
• α: 90°
• β: 90.518 ± 0.009°
• γ: 90°
• Cell volume: 1727.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No