Information card for entry 2240068

Structure parameters

• Chemical name: Dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}iron(III) dihydrate
• Formula: C10 H19 Cl2 Fe N2 O4
• Calculated formula: C10 H17 Cl2 Fe N2 O4
• Title of publication: Crystal structure of dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}iron(III) dihydrate from synchrotron data
• Authors of publication: Shin, Jong Won; Kim, Dae-Woong; Moon, Dohyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 334 - 336
• a: 7.269 ± 0.0015 Å
• b: 14.497 ± 0.003 Å
• c: 14.094 ± 0.003 Å
• α: 90°
• β: 95.86 ± 0.03°
• γ: 90°
• Cell volume: 1477.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes