Information card for entry 7036180

Structure parameters

• Formula: C22.5 H17 Cl N2 Pd
• Calculated formula: C22.5 H17 Cl N2 Pd
• Title of publication: Electronic structures of cyclometalated palladium complexes in the higher oxidation states.
• Authors of publication: Nguyen, Bao N.; Adrio, Luis A.; Albrecht, Tim; White, Andrew J. P.; Newton, Mark A.; Nachtegaal, Maarten; Figueroa, Santiago J. A.; Hii, King Kuok Mimi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16586 - 16591
• a: 10.9858 ± 0.0003 Å
• b: 15.3568 ± 0.0003 Å
• c: 22.4969 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3795.38 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No