Information card for entry 7216309

Structure parameters

• Formula: C19 H35 B3 Cl2 Cu3 F12 N3 S6
• Calculated formula: C19 H35 B3 Cl2 Cu3 F12 N3 S6
• 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: 12.1164 ± 0.0017 Å
• b: 16.379 ± 0.002 Å
• c: 19.486 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3867.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No