Information card for entry 4341166

Structure parameters

• Formula: C20 H28 Br F6 N8 O0.25 P Pd
• Calculated formula: C20 H28 Br F6 N8 O0.15 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: 18.5875 ± 0.0012 Å
• b: 9.1218 ± 0.0006 Å
• c: 17.7695 ± 0.0011 Å
• α: 90°
• β: 116.257 ± 0.0009°
• γ: 90°
• Cell volume: 2702 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No