Information card for entry 7038763

Structure parameters

• Formula: C17 H16 N2 O6 P2 Zn
• Calculated formula: C17 H16 N2 O6 P2 Zn
• 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: 8.6253 ± 0.0011 Å
• b: 9.2656 ± 0.0012 Å
• c: 12.16 ± 0.0015 Å
• α: 93.404 ± 0.002°
• β: 107.127 ± 0.002°
• γ: 102.703 ± 0.002°
• Cell volume: 897.9 ± 0.2 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: 0.0559
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No