Information card for entry 4341170

Structure parameters

• Formula: C49 H60 Br4 N8 Pd2
• Calculated formula: C49 H60 Br4 N8 Pd2
• SMILES: [Pd](Br)(Br)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(C=CN1CCCN1C(=[Pd](Br)(Br)=C2N(c3ccccc3N2C(C)C)C(C)C)N(C=C1)Cc1ccccc1)Cc1ccccc1
• 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: 8.5313 ± 0.0005 Å
• b: 18.2138 ± 0.0011 Å
• c: 32.4597 ± 0.0019 Å
• α: 90°
• β: 91.965 ± 0.001°
• γ: 90°
• Cell volume: 5040.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No