Information card for entry 7200684

Structure parameters

• Formula: C6 H27.5 B4 Fe2 N4.5 O30 P7
• Calculated formula: C6 H20 B4 Fe2 N4.5 O30 P7
• Title of publication: Synthesis, structure and magnetic property of a new organo-templated mixed-valent iron(ii, iii) borophosphate
• Authors of publication: Yang, Weiting; Li, Jiyang; Pan, Qinhe; Xing, Hongzhu; Chen, Yan; Yu, Jihong; Xu, Ruren
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 4523
• a: 8.9568 ± 0.0003 Å
• b: 9.8717 ± 0.0003 Å
• c: 17.9905 ± 0.0005 Å
• α: 102.51 ± 0.002°
• β: 92.343 ± 0.002°
• γ: 100.403 ± 0.002°
• Cell volume: 1522.1 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No