Information card for entry 7047078

Structure parameters

• Formula: C18 H31 F2 Fe3 N2 O18 P4
• Calculated formula: C18 H31 F2 Fe3 N2 O18 P4
• 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: 10.5218 ± 0.0007 Å
• b: 9.8194 ± 0.0006 Å
• c: 28.8151 ± 0.0019 Å
• α: 90°
• β: 91.524 ± 0.003°
• γ: 90°
• Cell volume: 2976.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No