Information card for entry 7700404

Structure parameters

• Formula: C28 H20 F6 N2 O4 Pd2
• Calculated formula: C28 H20 F6 N2 O4 Pd2
• 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: 24.572 ± 0.002 Å
• b: 9.7149 ± 0.0008 Å
• c: 23.534 ± 0.002 Å
• α: 90°
• β: 105.282 ± 0.01°
• γ: 90°
• Cell volume: 5419.3 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No