Information card for entry 4324381

Structure parameters

• Formula: C86 H74 Ag3 Cl F24 Fe N24 O6 P4
• Calculated formula: C86 H72 Ag3 Cl F24 Fe N24 O6 P4
• Title of publication: Self-Assembly of a Metallomacrocycle Templated by Iron(II)
• Authors of publication: Feng Li; Jack K. Clegg; David Price; Cameron J. Kepert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 726 - 728
• a: 28.038 ± 0.003 Å
• b: 22.37 ± 0.002 Å
• c: 30.391 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19062 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2734
• Residual factor for significantly intense reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.3335
• Weighted residual factors for all reflections included in the refinement: 0.404
• 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