Information card for entry 4079095

Structure parameters

• Common name: Complex_6
• Formula: C33 H27 B N3 P Pd S3
• Calculated formula: C33 H27 B N3 P Pd S3
• SMILES: [Pd]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S]=c4n([B]3(n3c(=[S]1)cccc3)n1c(=[S]2)cccc1)cccc4
• Title of publication: Utilizing the 8-Methoxycyclooct-4-en-1-ide Unit As a Hydrogen Atom Acceptor en Route to “Metal‒Borane Pincers”
• Authors of publication: Zech, Alexander; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6753
• a: 9.5022 ± 0.0003 Å
• b: 10.2618 ± 0.0004 Å
• c: 17.2908 ± 0.0006 Å
• α: 97.541 ± 0.002°
• β: 102.928 ± 0.002°
• γ: 109.843 ± 0.002°
• Cell volume: 1505.73 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0956
• 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