Information card for entry 7050102

Structure parameters

• Formula: C94 H82 Cu3 F24 N24 O4 P4
• Calculated formula: C94 H82 Cu3 F24 N24 O4 P4
• Title of publication: Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand
• Authors of publication: Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 904
• a: 22.397 ± 0.003 Å
• b: 15.0598 ± 0.0019 Å
• c: 30.411 ± 0.004 Å
• α: 90°
• β: 99.856 ± 0.003°
• γ: 90°
• Cell volume: 10106 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1855
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No