Information card for entry 7005659

Structure parameters

• Formula: C43 H39 Cl5 N4 O2 P2 Pd
• Calculated formula: C43 H35 Cl5 N4 O2 P2 Pd
• Title of publication: Variable coordination behaviour of pyrazole-containing N,P and N,P(O) ligands towards palladium(II).
• Authors of publication: Kealey, Steven; Long, Nicholas J.; Miller, Philip W.; White, Andrew J. P.; Hitchcock, Peter B.; Gee, Antony
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2823 - 2832
• a: 14.5729 ± 0.0003 Å
• b: 12.3105 ± 0.0001 Å
• c: 24.1681 ± 0.0004 Å
• α: 90°
• β: 98.68 ± 0.001°
• γ: 90°
• Cell volume: 4286.09 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No