Information card for entry 4334765

Structure parameters

• Formula: C11 H21 F5 N2 O2 Zn
• Calculated formula: C11 H21 F5 N2 O2 Zn
• SMILES: [Zn]1(OC(=O)C(F)(F)C(F)(F)F)([N](C)(C)CC[N]1(C)C)CC
• Title of publication: Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry
• Authors of publication: A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5515 - 5526
• a: 8.5671 ± 0.0002 Å
• b: 15.6795 ± 0.0005 Å
• c: 12.7444 ± 0.0003 Å
• α: 90°
• β: 109.487 ± 0.001°
• γ: 90°
• Cell volume: 1613.86 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No