Information card for entry 7111142

Structure parameters

• Formula: C13 H13 Cu F6 N P S3
• Calculated formula: C13 H13 Cu F N P S3
• Title of publication: Thiophene S-binding of a conformationally constrained thiophenophane leading to the formation of a copper(i) coordination polymer
• Authors of publication: Hanton, Lyall R.; Turnbull, Julia M.; Richardson, Christopher; Robinson, Ward T.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 2465
• a: 10.727 ± 0.005 Å
• b: 21.194 ± 0.009 Å
• c: 7.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.2 ± 1.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No