Information card for entry 7027856

Structure parameters

• Formula: C50 H64 Cl4 Fe2 N16 O20
• Calculated formula: C50 H64 Cl4 Fe2 N16 O20
• Title of publication: Synthesis and co-ordination chemistry of the tetradentate chelating ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: crystal structures of complexes with FeII, CuII, ZnII, AgI and PbII
• Authors of publication: Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 3029
• a: 19.714 ± 0.006 Å
• b: 11.095 ± 0.002 Å
• c: 14.91 ± 0.003 Å
• α: 90°
• β: 104.03 ± 0.02°
• γ: 90°
• Cell volume: 3163.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.0964
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No