Information card for entry 2105496

Structure parameters

• Formula: C6 H8 Fe O8
• Calculated formula: C6 H8 Fe O8
• SMILES: [Fe]123([OH]C(C(=O)O1)(CC(=O)O2)CC(=O)O)([OH2])[O]1[Fe]24([OH]C(C1=O)(CC(=O)O2)CC(=O)O)([OH2])[O]1[Fe]2([OH]C(C1=[O]3)(CC(=O)O2)CC(=O)O)([OH2])[O]1[Fe]2([OH]C(C1=[O]4)(CC(=O)O2)CC(=O)O)[OH2]
• Title of publication: Structure and magnetic properties of a new iron(II) citrate coordination polymer
• Authors of publication: Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 490 - 495
• a: 5.947 ± 0.0004 Å
• b: 10.4021 ± 0.0005 Å
• c: 13.5773 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 839.91 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No