Information card for entry 7700403

Structure parameters

• Formula: C18 H20 F6 N O2 P Pd S2
• Calculated formula: C18 H20 F6 N O2 P Pd S2
• 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: 14.3588 ± 0.0014 Å
• b: 12.2238 ± 0.0013 Å
• c: 13.3861 ± 0.0014 Å
• α: 90°
• β: 114.02 ± 0.008°
• γ: 90°
• Cell volume: 2146.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No