Information card for entry 4324380

Structure parameters

• Formula: C87.25 H86.35 B5 F20 Fe N27.25 O11.8
• Calculated formula: C87.25 H78.75 B5 F20 Fe N27.25 O7.5
• 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: 16.2973 ± 0.0012 Å
• b: 23.7869 ± 0.0018 Å
• c: 26.1147 ± 0.0019 Å
• α: 101.079 ± 0.002°
• β: 90.507 ± 0.003°
• γ: 96.236 ± 0.003°
• Cell volume: 9871.6 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No