Information card for entry 7216307

Structure parameters

• Formula: C16 H28 B2 Cu2 F8 N4 S4
• Calculated formula: C16 H28 B2 Cu2 F8 N4 S4
• 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: 6.671 ± 0.002 Å
• b: 16.939 ± 0.008 Å
• c: 12.941 ± 0.004 Å
• α: 90°
• β: 93.88 ± 0.03°
• γ: 90°
• Cell volume: 1459 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No