Information card for entry 7104000

Structure parameters

• Formula: C48 H44 Cr2 N4 O6 Pd2
• Calculated formula: C48 H44 Cr2 N4 O6 Pd2
• Title of publication: Novel heteroleptic cis-(C-N)2Pd(II) chelates for the preparation of enantiopure planar chiral cyclopalladated 2-[tricarbonyl(eta6-phenyl)chromium]pyridine
• Authors of publication: Djukic, Jean-Pierre; Alexsandro, Berger; Andre de, Cian; Nathalie, Kyritsakas-Gruber; Jerome, Lacour; Michel, Pfeffer; Laurent, Vial
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 11.1267 ± 0.0002 Å
• b: 17.0317 ± 0.0003 Å
• c: 11.5572 ± 0.0002 Å
• α: 90°
• β: 102.14 ± 0.005°
• γ: 90°
• Cell volume: 2141.19 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.279
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections: 9.351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No