Information card for entry 7001235

Structure parameters

• Formula: C H Fe N0 O P
• Calculated formula: Fe0.6 H4.4 N0.6 O4.8 P1.2
• Title of publication: Synthesis and crystal structures of iron hydrogen phosphates
• Authors of publication: Redrup, Kate V.; Weller, Mark T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3786 - 3792
• a: 7.129 ± 0.0003 Å
• b: 8.8372 ± 0.0003 Å
• c: 9.4621 ± 0.0003 Å
• α: 64.649 ± 0.002°
• β: 70.328 ± 0.002°
• γ: 69.541 ± 0.002°
• Cell volume: 492.27 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No