Information card for entry 2211310

Structure parameters

• Chemical name: Diaquabis(4-formyl-2-methoxyphenolato)iron(II)
• Formula: C16 H18 Fe O8
• Calculated formula: C16 H18 Fe O8
• SMILES: [OH2][Fe]12(Oc3ccc(cc3[O]1C)C=O)(Oc1ccc(cc1[O]2C)C=O)[OH2]
• Title of publication: Diaquabis(4-formyl-2-methoxyphenolato)iron(II)
• Authors of publication: Zhang, Hong-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3325 - m3327
• a: 22.431 ± 0.002 Å
• b: 10.551 ± 0.002 Å
• c: 7.8463 ± 0.0007 Å
• α: 90°
• β: 106.545 ± 0.001°
• γ: 90°
• Cell volume: 1780.1 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes