Information card for entry 4331517

Structure parameters

• Formula: C20 H12 Cl3 Cu F6 N3 O2
• Calculated formula: C19 H11 Cu F6 N3 O2
• Title of publication: Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions
• Authors of publication: Halper, Sara R.; Cohen, Seth M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4139 - 4141
• a: 15.5323 ± 0.001 Å
• b: 9.6926 ± 0.0006 Å
• c: 16.0408 ± 0.0011 Å
• α: 90°
• β: 97.406 ± 0.001°
• γ: 90°
• Cell volume: 2394.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No