Information card for entry 4513730

Structure parameters

• Formula: C8 H16 Cl2 Cr O2
• Calculated formula: C8 H16 Cl2 Cr O2
• SMILES: [Cr]([O]1CCCC1)([O]1CCCC1)(Cl)Cl
• Title of publication: Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties
• Authors of publication: Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2016
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 189
• a: 3.9645 ± 0.0002 Å
• b: 7.2398 ± 0.0004 Å
• c: 9.2813 ± 0.0005 Å
• α: 86.918 ± 0.004°
• β: 79.841 ± 0.004°
• γ: 87.105 ± 0.004°
• Cell volume: 261.61 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No