Information card for entry 7032631

Structure parameters

• Formula: C10 H22 Fe N2 Na O12
• Calculated formula: C10 H22 Fe N2 Na O12
• SMILES: [Fe](OC=O)(OC=O)(OC=O)(OC=O)(OC=O)OC=O.[Na+].C[NH2+]C.C[NH2+]C
• Title of publication: Synthesis and order-disorder transition in a novel metal formate framework of [(CH3)2NH2]Na0.5Fe0.5(HCOO)3].
• Authors of publication: Mączka, Mirosław; Pietraszko, Adam; Macalik, Lucyna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17075 - 17084
• a: 8.2617 ± 0.0017 Å
• b: 9.0797 ± 0.0018 Å
• c: 12.293 ± 0.003 Å
• α: 95.37 ± 0.03°
• β: 90.43 ± 0.03°
• γ: 89.91 ± 0.03°
• Cell volume: 918.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1141
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.363
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No