Information card for entry 7110648

Structure parameters

• Formula: C102.5 H213 Cl21 O16 P8 Pd4
• Calculated formula: C102.5 H213 Cl21 O16 P8 Pd4
• Title of publication: Highly active and selective catalysts for the production of methyl propanoate via the methoxycarbonylation of ethene
• Authors of publication: Clegg, William; Elsegood, Mark R. J.; Eastham, Graham R.; Tooze, Robert P.; Wang, Xiao Lan; Whiston, Keith
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1877
• a: 38.53 ± 0.002 Å
• b: 19.1969 ± 0.0009 Å
• c: 20.3787 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15073.2 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No