Information card for entry 4341168

Structure parameters

• Formula: C37 H43 Br F6 N7 P Pd
• Calculated formula: C37 H43 Br F6 N7 P Pd
• Title of publication: Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.
• Authors of publication: Teng, Qiaoqiao; Huynh, Han Vinh
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 10964 - 10973
• a: 9.0847 ± 0.0006 Å
• b: 11.6841 ± 0.0008 Å
• c: 18.3327 ± 0.0012 Å
• α: 95.009 ± 0.001°
• β: 98.171 ± 0.0009°
• γ: 92.644 ± 0.0009°
• Cell volume: 1915.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No