Information card for entry 7700401

Structure parameters

• Formula: C18 H20 F6 N O P Pd S3
• Calculated formula: C18 H20 F6 N O P Pd S3
• Title of publication: Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.
• Authors of publication: Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11520 - 11535
• a: 6.826 ± 0.002 Å
• b: 10.59 ± 0.004 Å
• c: 15.068 ± 0.005 Å
• α: 84.736 ± 0.006°
• β: 85.891 ± 0.006°
• γ: 79.079 ± 0.006°
• Cell volume: 1063.3 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No