Information card for entry 7005661

Structure parameters

• Formula: C46 H38 Cl14 N4 O10 P2 Pd
• Calculated formula: C46 H38 Cl14 N4 O10 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: 8.5748 ± 0.0003 Å
• b: 19.1391 ± 0.0007 Å
• c: 17.7847 ± 0.0006 Å
• α: 90°
• β: 91.343 ± 0.002°
• γ: 90°
• Cell volume: 2917.92 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No