Information card for entry 7041225

Structure parameters

• Formula: C30 H16 F6 N2 O4 Pd2
• Calculated formula: C30 H16 F6 N2 O4 Pd2
• SMILES: [Pd]123([Pd]4([n]5cccc6ccc7cccc4c7c56)([O]=C(O2)C(F)(F)F)OC(=[O]3)C(F)(F)F)[n]2cccc3ccc4cccc1c4c23
• Title of publication: Redox trends in cyclometalated palladium(ii) complexes.
• Authors of publication: Dudkina, Yulia B.; Kholin, Kirill V.; Gryaznova, Tatyana V.; Islamov, Daut R.; Kataeva, Olga N.; Rizvanov, Ildar Kh; Levitskaya, Alina I.; Fominykh, Olga D.; Balakina, Marina Yu; Sinyashin, Oleg G.; Budnikova, Yulia H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 165 - 177
• a: 18.502 ± 0.006 Å
• b: 21.414 ± 0.007 Å
• c: 13.415 ± 0.004 Å
• α: 90°
• β: 95.006 ± 0.004°
• γ: 90°
• Cell volume: 5295 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No