Information card for entry 7017890

Structure parameters

• Formula: C36 H30 Cl12 Fe6 O30
• Calculated formula: C36 H30 Cl12 Fe6 O30
• Title of publication: Polymer imprinting with iron-oxo-hydroxo clusters: [Fe6O2(OH)2(O2CC(Cl)=CH2)12(H2O)2], [Fe6O2(OH)2(O2C-Ph-(CH)=CH2)12(H2O)2] and [{Fe(O2CC(Cl)=CH2)(OMe)2}10].
• Authors of publication: Harben, Spencer M.; Mosselmans, J Frederick W; Ryan, Áine T; Whitwood, Adrian C.; Walton, Paul H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 208 - 218
• a: 13.612 ± 0.004 Å
• b: 14.985 ± 0.007 Å
• c: 20.236 ± 0.012 Å
• α: 77.82 ± 0.04°
• β: 82.86 ± 0.04°
• γ: 66.76 ± 0.03°
• Cell volume: 3703 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2956
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.3014
• Weighted residual factors for all reflections included in the refinement: 0.3588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No