Information card for entry 4513725

Structure parameters

• Formula: C30 H39 Cl Li4 O6
• Calculated formula: C30 H39 Cl Li4 O6
• 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: 6.2669 ± 0.0003 Å
• b: 11.7767 ± 0.0008 Å
• c: 11.965 ± 0.0007 Å
• α: 66.479 ± 0.005°
• β: 76.664 ± 0.004°
• γ: 77.411 ± 0.005°
• Cell volume: 779.97 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2114
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No