Information card for entry 7047079

Structure parameters

• Formula: C14 H16 F N2 Ni O6 P2
• Calculated formula: C14 H16 F N2 Ni O6 P2
• Title of publication: Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.
• Authors of publication: Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 11226 - 11238
• a: 13.1948 ± 0.0013 Å
• b: 9.8505 ± 0.001 Å
• c: 13.6882 ± 0.0018 Å
• α: 90°
• β: 112.336 ± 0.003°
• γ: 90°
• Cell volume: 1645.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No