Information card for entry 7111475

Structure parameters

• Formula: C22 H16 Cl2 Cu F6 N2 O2 S
• Calculated formula: C22 H16 Cl2 Cu F6 N2 O2 S
• Title of publication: Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes
• Authors of publication: Do, Loi; Halper, Sara R.; Cohen, Seth M.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2662 - 2663
• a: 8.6561 ± 0.0008 Å
• b: 16.193 ± 0.0015 Å
• c: 33.492 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4694.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No