Information card for entry 7208232

Structure parameters

• Formula: C8 H11 Fe1.5 N O10 P2
• Calculated formula: C8 H11 Fe1.5 N O10 P2
• Title of publication: Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure
• Authors of publication: Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5479
• a: 9.0076 ± 0.0014 Å
• b: 9.0531 ± 0.0014 Å
• c: 10.02 ± 0.003 Å
• α: 101.061 ± 0.003°
• β: 109.377 ± 0.003°
• γ: 109.873 ± 0.002°
• Cell volume: 680.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1192
• 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