Information card for entry 7700402

Structure parameters

• Formula: C20 H23 F6 N2 O3 P Pd S3
• Calculated formula: C20 H23 F6 N2 O3 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: 8.1573 ± 0.0008 Å
• b: 11.5199 ± 0.0012 Å
• c: 14.1783 ± 0.0014 Å
• α: 80.646 ± 0.006°
• β: 73.894 ± 0.005°
• γ: 77.935 ± 0.006°
• Cell volume: 1244 ± 0.2 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: 0.0371
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No