Information card for entry 7008170

Structure parameters

• Common name: (Diaquo-hexaoxalato-tetrabarium(ii)-hexakis(hexa-mu3- hydroxohexairon(ii))) dibromide tetrahydrate
• Chemical name: [Diaquo-hexaoxalato-tetrabarium(II)-hexakis(hexa-μ3-hydroxohexairon(II))] dibromide tetrahydrate
• Formula: C12 H18 Ba4 Br2 Fe6 O36
• Calculated formula: C12 H14.04 Ba4 Br1.98 Fe6 O36.02
• Title of publication: Crystal structure and magnetic properties of a pseudo-cubic close-packed array of oxalate linked {FeII6(mu3-OH)6}6+ clusters.
• Authors of publication: Fei, Bao-Li; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1381 - 1386
• a: 11.1818 ± 0.0007 Å
• b: 11.1818 ± 0.0007 Å
• c: 27.412 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2968.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No