Information card for entry 4074060

Structure parameters

• Formula: C46 H42 N4 O4 Pd
• Calculated formula: C46 H42 N4 O4 Pd
• SMILES: C1(N(Cc2ccccc2)c2ccccc2N1Cc1ccccc1)=[Pd](OC(=O)C)(=C1N(c2ccccc2N1Cc1ccccc1)Cc1ccccc1)OC(=O)C
• Title of publication: Dipalladium Bis(μ-isopropylthiolato) Complexes with a [Pd2S2] Core Supported by N-Heterocyclic Carbenes
• Authors of publication: Huynh, Han Vinh; Jothibasu, Ramasamy; Koh, Lip Lin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6852
• a: 20.0286 ± 0.0008 Å
• b: 10.1606 ± 0.0004 Å
• c: 18.8389 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3833.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No