Information card for entry 7216306

Structure parameters

• Formula: C8 H14 B Cu F4 N2 S2
• Calculated formula: C8 H14 B Cu F4 N2 S2
• Title of publication: Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane
• Authors of publication: Knaust, Jacqueline M.; Keller, Steven W.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 81
• Pages of publication: 459
• a: 12.893 ± 0.005 Å
• b: 11.621 ± 0.004 Å
• c: 19.044 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2853.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No