Information card for entry 7007439

Structure parameters

• Common name: Trisodium (bis(N-methyl-iminodiacetate)iron(iii)) diperchlorate trihydrate
• Chemical name: Trisodium [bis(N-methyl-iminodiacetate)iron(III)] diperchlorate trihydrate
• Formula: C10 H20 Cl2 Fe N2 Na3 O19
• Calculated formula: C10 H20 Cl2 Fe N2 Na3 O19
• SMILES: C1C(=O)O[Fe]234([N]1(CC(=O)O2)C)OC(=O)C[N]4(C)CC(O3)=O.[Na+].O=Cl(=O)(=O)[O-].[Na+].O=Cl(=O)(=O)[O-].[Na+].O.O.O
• Title of publication: Structure of sodium bis(N-methyl-iminodiacetato)iron(III): trans-meridional N-coordination in the solid state and in solution.
• Authors of publication: Meier, Roland; Molinier, Michel; Anson, Chris; Powell, Anne K.; Kallies, Bernd; van Eldik, Rudi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5506 - 5514
• a: 10.2324 ± 0.0014 Å
• b: 11.9903 ± 0.001 Å
• c: 9.9676 ± 0.0018 Å
• α: 96.561 ± 0.01°
• β: 96.066 ± 0.014°
• γ: 91.311 ± 0.009°
• Cell volume: 1207.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No