Information card for entry 7008055

Structure parameters

• Formula: C104 H184 Fe4 N16 O28
• Calculated formula: C104 H128 Fe4 N16 O28
• Title of publication: Iron(III) activation hits a [4 + 4] macrocycle.
• Authors of publication: Hewitt, Ian J.; Tang, Jin-Kui; Madhu, N. T.; Pilawa, Bernd; Anson, Christopher E.; Brooker, Sally; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 429 - 432
• a: 13.3789 ± 0.0015 Å
• b: 14.7358 ± 0.0017 Å
• c: 17.61 ± 0.002 Å
• α: 92.718 ± 0.01°
• β: 110.611 ± 0.009°
• γ: 116.077 ± 0.008°
• Cell volume: 2833.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No