Information card for entry 4331519

Structure parameters

• Formula: C23.5 H13.5 Cl1.5 Cu F6 N3 O2
• Calculated formula: C23.5 H13.5 Cl1.5 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: 15.7479 ± 0.0014 Å
• b: 9.6616 ± 0.0008 Å
• c: 32.162 ± 0.003 Å
• α: 90°
• β: 94.283 ± 0.001°
• γ: 90°
• Cell volume: 4879.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No