Information card for entry 7014556

Structure parameters

• Formula: C68 H112 B2 Co2 Cu2 Fe2 N22 O23 P6
• Calculated formula: C68 H112 B2 Co2 Cu2 Fe2 N22 O23 P6
• Title of publication: Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.
• Authors of publication: Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2204 - 2212
• a: 11.66 ± 0.003 Å
• b: 14.156 ± 0.004 Å
• c: 16.84 ± 0.005 Å
• α: 70.254 ± 0.004°
• β: 86.355 ± 0.004°
• γ: 74.224 ± 0.004°
• Cell volume: 2516.4 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No