Information card for entry 4310512

Structure parameters

• Formula: C40 H35 Cl2 N9 O Pd
• Calculated formula: C40 H35 Cl2 N9 O Pd
• SMILES: [Pd]1([n]2c(N(c3[n]1cccc3)c1cc(N(c3ncccc3)c3ncccc3)cc(N(c3ncccc3)c3ncccc3)c1)cccc2)(Cl)Cl.C1CCCO1
• 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: 10.477 ± 0.002 Å
• b: 13.534 ± 0.003 Å
• c: 14.481 ± 0.003 Å
• α: 65.439 ± 0.003°
• β: 84.935 ± 0.004°
• γ: 85.614 ± 0.004°
• Cell volume: 1858.5 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.674
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No