Information card for entry 7033678

Structure parameters

• Formula: C116 H100 Cl2 F36 Fe2 N20 O4 P6 Zn2
• Calculated formula: C116 H100 Cl2 F36 Fe2 N20 O4 P6 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: 12.8625 ± 0.0005 Å
• b: 14.2812 ± 0.0007 Å
• c: 18.9563 ± 0.0009 Å
• α: 76.066 ± 0.004°
• β: 83.142 ± 0.004°
• γ: 82.373 ± 0.004°
• Cell volume: 3335.9 ± 0.3 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No