Information card for entry 7038761

Structure parameters

• Formula: C17 H16 Cu N2 O6 P2
• Calculated formula: C17 H16 Cu N2 O6 P2
• Title of publication: Speciation of metal phosphonates with the assistance of weak interactions.
• Authors of publication: Hou, Xiaomin; Tang, Si-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7349 - 7359
• a: 8.539 ± 0.005 Å
• b: 8.948 ± 0.005 Å
• c: 12.706 ± 0.008 Å
• α: 95.02 ± 0.011°
• β: 107.86 ± 0.01°
• γ: 103.549 ± 0.01°
• Cell volume: 884.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No