Information card for entry 4074062

Structure parameters

• Formula: C52 H75 B2 F8 N9 O Pd2 S2
• Calculated formula: C52 H75 B2 F8 N9 O Pd2 S2
• SMILES: [Pd]1([S]([Pd]([S]1C(C)C)(=C1N(c2ccccc2N1CCC)C)=C1N(c2ccccc2N1CCC)C)C(C)C)(=C1N(c2ccccc2N1CCC)C)=C1N(c2ccccc2N1CCC)C.[B](F)(F)(F)[F-].CC#N.[B](F)(F)(F)[F-].O
• 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: 27.346 ± 0.0011 Å
• b: 12.2423 ± 0.0005 Å
• c: 18.151 ± 0.0007 Å
• α: 90°
• β: 97.007 ± 0.001°
• γ: 90°
• Cell volume: 6031.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No