Information card for entry 7152289

Structure parameters

• Formula: C105 H152 F18 N8 O43 Pd4 S6 Sm2
• Calculated formula: C105 H144 F18 N8 O43 Pd4 S6 Sm2
• Title of publication: A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.
• Authors of publication: Zhang, Guoqi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2534 - 2536
• a: 13.4805 ± 0.0004 Å
• b: 20.3239 ± 0.0006 Å
• c: 24.982 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6844.5 ± 0.3 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No