Information card for entry 2203065

Structure parameters

• Chemical name: Triaqua-1κO,2κO,3κO-hexakis-μ-monochloroacetato- 1:2κ^4^O:O';2:3κ^4^O:O';1:3κ^4^O:O'-μ~3~-oxo-triiron(III) nitrate trihydrate
• Formula: C12 H24 Cl6 Fe3 N O22
• Calculated formula: C12 H24 Cl6 Fe3 N O22
• Title of publication: Triaqua-1κ<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-hexakis-μ-chloroacetato-1:2κ^4^<i>O</i>:<i>O</i>';2:3κ^4^<i>O</i>:<i>O</i>';1:3κ^4^<i>O</i>:<i>O</i>'-μ~3~-oxo-triiron(III) nitrate trihydrate
• Authors of publication: Ren, X. M.; Okudera, H.; Kremer, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m14 - m16
• a: 12.523 ± 0.003 Å
• b: 14.768 ± 0.003 Å
• c: 17.601 ± 0.004 Å
• α: 90°
• β: 96.35 ± 0.03°
• γ: 90°
• Cell volume: 3235.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes