Information card for entry 4318836

Structure parameters

• Common name: cis-Cl2-Pd[(PPh2OCH2)2-nBu4Clx], 12
• Formula: C76 H84 Cl20 O6 P2 Pd
• Calculated formula: C76 H84 Cl20 O6 P2 Pd
• Title of publication: Synthesis and Characterization of Diametrically Substituted Tetra-O-n-butylcalix[4]arene Ligands and Their Chelated Complexes of Titanium, Molybdenum, and Palladium
• Authors of publication: Daniel R. Evans; Mingsheng Huang; James C. Fettinger; Tracie L. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5986 - 6000
• a: 14.369 ± 0.0011 Å
• b: 18.3194 ± 0.0014 Å
• c: 18.416 ± 0.0014 Å
• α: 88.978 ± 0.001°
• β: 71.141 ± 0.001°
• γ: 84.23 ± 0.001°
• Cell volume: 4563.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No