Information card for entry 7006115

Structure parameters

• Common name: sa0613
• Formula: C31 H33 B4 Cl3 Fe2 O8
• Calculated formula: C31 H33 B4 Cl3 Fe2 O8
• Title of publication: Synthesis of polymeric and macrocyclic Lewis acids: influence of backbone on degree of aggregation.
• Authors of publication: Day, Joanna K.; Bresner, Chrisopher; Fallis, Ian A.; Ooi, Li-Ling; Watkin, David J.; Coles, Simon J.; Male, Louise; Hursthouse, Michael B.; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3486 - 3488
• a: 16.7826 ± 0.0003 Å
• b: 9.9148 ± 0.0002 Å
• c: 20.8325 ± 0.0004 Å
• α: 90°
• β: 108.339 ± 0.001°
• γ: 90°
• Cell volume: 3290.39 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No