Information card for entry 7020460

Structure parameters

• Formula: C8 H11 Fe O5
• Calculated formula: C8 H11 Fe O5
• Title of publication: Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker.
• Authors of publication: Zheng, Yan-Zhen; Chen, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 11989 - 11991
• a: 8.01 ± 0.002 Å
• b: 6.8872 ± 0.0018 Å
• c: 8.569 ± 0.002 Å
• α: 90°
• β: 108.232 ± 0.005°
• γ: 90°
• Cell volume: 448.99 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No