Information card for entry 7033679

Structure parameters

• Formula: C122 H99 F30 Fe2 N22 O7 P5 Zn2
• Calculated formula: C122 H99 F30 Fe2 N22 O7 P5 Zn2
• Title of publication: Deliberate boxes and accidental wheels.
• Authors of publication: Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4200 - 4206
• a: 20.9518 ± 0.001 Å
• b: 19.8601 ± 0.0006 Å
• c: 36.0894 ± 0.0012 Å
• α: 90°
• β: 101.626 ± 0.004°
• γ: 90°
• Cell volume: 14708.9 ± 1 ų
• Cell temperature: 173.35 ± 0.1 K
• Ambient diffraction temperature: 173.35 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No