Information card for entry 7104001

Structure parameters

• Formula: C20 H15 Cl3 Cr N2 O3 Pd
• Calculated formula: C20 H13 Cl3 Cr N2 O3 Pd
• 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: 6.4747 ± 0.0002 Å
• b: 12.4324 ± 0.0003 Å
• c: 14.0935 ± 0.0005 Å
• α: 90°
• β: 96.103 ± 0.005°
• γ: 90°
• Cell volume: 1128.04 ± 0.06 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: 0.049
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.663
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 13.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No