Information card for entry 7041227

Structure parameters

• Formula: C34 H36 N2 O6 P2 Pd2
• Calculated formula: C34 H36 N2 O6 P2 Pd2
• SMILES: [Pd]12(c3cccc4ccc5ccc[n]1c5c34)[P](O[Pd]1(c3cccc4ccc5ccc[n]1c5c34)[P](O2)(OCC)OCC)(OCC)OCC
• 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: 10.197 ± 0.001 Å
• b: 13.081 ± 0.001 Å
• c: 13.311 ± 0.002 Å
• α: 107.243 ± 0.003°
• β: 93.614 ± 0.003°
• γ: 110.812 ± 0.003°
• Cell volume: 1556.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No