Information card for entry 7005294

Structure parameters

• Formula: C25 H25.42 Cl2 N5 O2.21 Pd
• Calculated formula: C25 H25.422 Cl2 N5 O2.211 Pd
• Title of publication: Cyclometalation vs. Werner-type coordination of sterically enforced palladium(II)-1,3-bis(pyridyl-2-imino)isoindolines (Pd-BPIs).
• Authors of publication: Bröring, Martin; Kleeberg, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1101 - 1103
• a: 12.6799 ± 0.0016 Å
• b: 14.5846 ± 0.0018 Å
• c: 15.753 ± 0.002 Å
• α: 115.166 ± 0.014°
• β: 100.8 ± 0.014°
• γ: 96.971 ± 0.015°
• Cell volume: 2522.9 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No