Information card for entry 7009359

Structure parameters

• Chemical name: catena-diaqua-μ(O,O',O'',O'''chloranilato)iron(II) hydrate
• Formula: C24 H24 Cl8 Fe4 O28
• Calculated formula: C6 H6 Cl2 Fe O7
• Title of publication: X-Ray diffraction and magnetic studies on a series of isostructural divalent metal chloranilates with zigzag polymeric chain structures and on a dinuclear iron(III) chloranilate †
• Authors of publication: Abrahams, Brendan F.; Lu, Kevin D.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1793
• a: 4.9199 ± 0.0002 Å
• b: 14.255 ± 0.001 Å
• c: 14.011 ± 0.003 Å
• α: 90°
• β: 94.98 ± 0.007°
• γ: 90°
• Cell volume: 978.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No