Information card for entry 7712706

Structure parameters

• Common name: LUISFER71_150K
• Formula: C38 H48 F6 N6
• Calculated formula: C38 H48 F6 N6
• Title of publication: Very Efficient Organo-Zinc Scorpionates for the CO2 Fixation into a Variety of Cyclic Carbonates: Synthesis, Coordination Ability and Catalytic Studies
• Authors of publication: Navarro, Marta; Garcés Osado, Andrés; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Gonzalez-Lizana, David; Lara, Agustin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 21.5588 ± 0.0006 Å
• b: 13.0726 ± 0.0004 Å
• c: 27.5796 ± 0.0008 Å
• α: 90°
• β: 96.1396 ± 0.0013°
• γ: 90°
• Cell volume: 7728.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No