Information card for entry 4072211

Structure parameters

• Formula: C67 H94 B O P Pd S Si2
• Calculated formula: C61 H80 B O P Pd S Si2
• SMILES: [Pd]123([P](c4cc(cc5C(c6cc(cc(B(c7ccccc7)c7ccccc7)c6Sc45)C(C)(C)C)(C)C)C(C)(C)C)(c4ccccc4)c4ccccc4)[CH2]=[CH]1[Si](O[Si]([CH]3=[CH2]2)(C)C)(C)C.CCCCCC
• Title of publication: Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination
• Authors of publication: Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5317
• a: 17.16 ± 0.007 Å
• b: 9.849 ± 0.004 Å
• c: 36.227 ± 0.016 Å
• α: 90°
• β: 96.351 ± 0.007°
• γ: 90°
• Cell volume: 6085 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No