Information card for entry 7007398

Structure parameters

• Common name: (Fe2L2(dmf)2(SO4))(CH2Cl2)2
• Chemical name: [Fe2L2(dmf)2(SO4)](CH2Cl2)2
• Formula: C32 H42 Cl4 Fe2 N6 O14 S7
• Calculated formula: C32 H42 Cl4 Fe2 N6 O14 S7
• Title of publication: Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.
• Authors of publication: Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 4047 - 4055
• a: 11.4902 ± 0.0008 Å
• b: 15.0401 ± 0.0009 Å
• c: 15.0968 ± 0.0009 Å
• α: 90°
• β: 102.81 ± 0.002°
• γ: 90°
• Cell volume: 2544 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No