Information card for entry 2200171

Structure parameters

• Common name: CrBr2.2THF
• Chemical name: dibromobis(tetrahydrofuran-O)chromium(II)
• Formula: C8 H16 Br2 Cr O2
• Calculated formula: C8 H16 Br2 Cr O2
• SMILES: C1CCC[O]1[Cr](Br)([O]1CCCC1)Br
• Title of publication: Solvated CrBr~2~(thf)~2~, a linear chain in the solid state
• Authors of publication: Twamley, Brendan; Zehnder, Ralph; Shapiro, Pamela J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: m80 - m81
• a: 4.1043 ± 0.0007 Å
• b: 7.453 ± 0.0013 Å
• c: 9.2875 ± 0.0016 Å
• α: 87.777 ± 0.003°
• β: 78.619 ± 0.003°
• γ: 87.281 ± 0.003°
• Cell volume: 278.07 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No