Information card for entry 4341167

Structure parameters

• Formula: C45 H62 Br2 Cl2 F12 N12 P2 Pd2
• Calculated formula: C45 H62 Br2 Cl2 F12 N12 P2 Pd2
• 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: 13.372 ± 0.012 Å
• b: 14.825 ± 0.013 Å
• c: 16.378 ± 0.015 Å
• α: 112.263 ± 0.017°
• β: 99.074 ± 0.018°
• γ: 98.184 ± 0.018°
• Cell volume: 2894 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No