Information card for entry 4310515

Structure parameters

• Formula: C51.78 H54.67 Cl1.78 N10.67 O12.22 Pd2.67
• Calculated formula: C51.7778 H36.4444 Cl1.77778 N10.6667 O12.2222 Pd2.66667
• Title of publication: Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene
• Authors of publication: Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 978 - 985
• a: 14.678 ± 0.004 Å
• b: 28.666 ± 0.008 Å
• c: 29.93 ± 0.007 Å
• α: 90°
• β: 100.918 ± 0.007°
• γ: 90°
• Cell volume: 12365 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.3013
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No