Information card for entry 7104035

Structure parameters

• Common name: (Tris(N,N'-(2,2')bipyridinyl-5,5'-diyl-bis-carbamic acid diethyl ester)iron(ii))-sulfate- hemi-methanol - 3.2 water
• Chemical name: [Tris(N,N'-[2,2']bipyridinyl-5,5'-diyl-bis-carbamic acid diethyl ester)iron(II)]- sulfate- hemi-methanol - 3.2 water
• Formula: C48.5 H62.4 Fe N12 O19.7 S
• Calculated formula: C48.5 H52 Fe N12 O19.7 S
• Title of publication: Large size anion binding with iron(II) complexes of a 5,5'-disubstituted-2,2'-bipyridine ligand
• Authors of publication: Wu, Biao; Yang, Xiao-Juan; Janiak, Christoph; Gerhard Lassahn, Paul
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 902 - 903
• a: 14.0449 ± 0.001 Å
• b: 22.8722 ± 0.0016 Å
• c: 18.811 ± 0.0013 Å
• α: 90°
• β: 100.833 ± 0.001°
• γ: 90°
• Cell volume: 5935.1 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1622
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No