Information card for entry 4314628

Structure parameters

• Formula: C23 H19 Cl Fe N3 Na O5
• Calculated formula: C23 H19 Cl Fe N3 Na O5
• SMILES: [Fe]12(Cl)([n]3c(ccc4ccccc34)C(=O)O1)[n]1c(ccc3ccccc13)C(=O)O2.[Na+].O=CN(C)C
• Title of publication: Synthesis and Characterization of Iron(II) Quinaldate Complexes
• Authors of publication: Dylan T. Houghton; Nicholas W. Gydesen; Navamoney Arulsamy; Mark P. Mehn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 879 - 887
• a: 9.9545 ± 0.0002 Å
• b: 15.218 ± 0.0003 Å
• c: 15.1842 ± 0.0003 Å
• α: 90°
• β: 94.662 ± 0.001°
• γ: 90°
• Cell volume: 2292.61 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No