Information card for entry 7217629

Structure parameters

• Formula: C7 H7 Fe N O6
• Calculated formula: C7 H7 Fe N O6
• Title of publication: An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors
• Authors of publication: Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9208
• a: 10.996 ± 0.004 Å
• b: 10.359 ± 0.004 Å
• c: 7.723 ± 0.003 Å
• α: 90°
• β: 102.018 ± 0.006°
• γ: 90°
• Cell volume: 860.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No