Information card for entry 7029602

Structure parameters

• Formula: C57.74 H16.47 Cl1.47 F30 Fe3 N3 O13
• Calculated formula: C57.735 H16.47 Cl1.47 F30 Fe3 N3 O13
• Title of publication: Synthesis, structure and valence-trapping vs. detrapping for new trinuclear iron pentafluoro benzoate complexes: possible recognition of organic molecules by (57)Fe Mössbauer spectroscopy.
• Authors of publication: Onaka, Satoru; Sakai, Yoichi; Ozeki, Tomoji; Nakamoto, Tadahiro; Kobayashi, Yusuke; Takahashi, Masashi; Ogiso, Ryo; Takayama, Tsutomu; Shiotsuka, Michito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6711 - 6719
• a: 13.458 ± 0.001 Å
• b: 13.458 ± 0.001 Å
• c: 20.967 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3288.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No