Information card for entry 7038762

Structure parameters

• Formula: C17 H20 Cu N2 O8 P2
• Calculated formula: C17 H20 Cu N2 O8 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: 9.054 ± 0.004 Å
• b: 11.097 ± 0.005 Å
• c: 11.481 ± 0.005 Å
• α: 90°
• β: 113.25 ± 0.03°
• γ: 90°
• Cell volume: 1059.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No