Information card for entry 2015043

Structure parameters

• Chemical name: catena-poly[bromotetrakis(μ2-tert-butoxo)- bis(tetrahydrofuran-?O)iron(III)dilithium]
• Formula: C24 H52 Br Fe Li2 O6
• Calculated formula: C24 H52 Br Fe Li2 O6
• SMILES: C(C)(C)(C)[O]1[Fe]([O]([Li]1[O]1CCCC1)C(C)(C)C)([O]([Li]1[O]2CCCC2)C(C)(C)C)[O]1C(C)(C)C.[Br-]
• Title of publication: A mixed iron(III)/lithium alkoxide
• Authors of publication: Barley, Helen R. L.; Kennedy, Alan R.; Mulvey, Robert E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m346 - m347
• a: 18.4449 ± 0.0005 Å
• b: 9.0987 ± 0.0003 Å
• c: 18.675 ± 0.0005 Å
• α: 90°
• β: 90.535 ± 0.002°
• γ: 90°
• Cell volume: 3133.99 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No