Information card for entry 7008056

Structure parameters

• Formula: C102 H179 Cl Fe4 N16 O27
• Calculated formula: C102 H133 Cl Fe4 N16 O27
• 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: 14.25 ± 0.003 Å
• b: 14.35 ± 0.003 Å
• c: 15.263 ± 0.003 Å
• α: 73.057 ± 0.014°
• β: 71.696 ± 0.013°
• γ: 83.434 ± 0.015°
• Cell volume: 2833.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1744
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No