Information card for entry 2202580

Structure parameters

• Formula: C22 H20 Fe N2 O6
• Calculated formula: C22 H20 Fe N2 O6
• SMILES: [Fe]12(OC(=O)c3cc4ccccc4c[n]13)(OC(=O)c1cc3ccccc3c[n]12)([OH]C)[OH]C
• Title of publication: <i>trans</i>-Bis(isoquinoline-3-carboxylato-κ^2^<i>N,O</i>)bis(methanol-κ<i>O</i>)iron(II)
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m897 - m899
• a: 10.798 ± 0.002 Å
• b: 6.281 ± 0.001 Å
• c: 15.045 ± 0.002 Å
• α: 90°
• β: 100.82 ± 0.01°
• γ: 90°
• Cell volume: 1002.2 ± 0.3 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes