Information card for entry 7006117

Structure parameters

• Formula: C28 H30 B2 Fe2 O4
• Calculated formula: C28 H30 B2 Fe2 O4
• 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: 29.8942 ± 0.001 Å
• b: 10.7482 ± 0.0003 Å
• c: 7.4301 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2387.36 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No