Information card for entry 7008724

Structure parameters

• Formula: C37 H35 Cl N3 O P Pd
• Calculated formula: C37 H35 Cl N3 O P Pd
• Title of publication: Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: an experimental and theoretical study.
• Authors of publication: Mota, Antonio J.; Dedieu, Alain; Kuhn, Pierre; Matt, Dominique; Welter, Richard; Neuburger, Markus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3155 - 3160
• a: 9.5561 ± 0.0001 Å
• b: 16.2957 ± 0.0002 Å
• c: 11.0233 ± 0.0001 Å
• α: 90°
• β: 110.461 ± 0.0007°
• γ: 90°
• Cell volume: 1608.29 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0672
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No