Information card for entry 4065142

Structure parameters

• Formula: C56 H50 P2 Zn2
• Calculated formula: C56 H50 P2 Zn2
• SMILES: C(C)[Zn]1([C](#Cc2ccccc2)[Zn](CC)([C]1#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Phosphine-Ligated Zinc Acetylide Dimers: Enhanced Reactivity in Carbonyl Additions
• Authors of publication: Wilson, Erin E.; Oliver, Allen G.; Hughes, Russell P.; Ashfeld, Brandon L.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5214
• a: 8.338 ± 0.0011 Å
• b: 11.62 ± 0.0017 Å
• c: 12.1537 ± 0.0018 Å
• α: 100.399 ± 0.004°
• β: 93.38 ± 0.004°
• γ: 91.285 ± 0.004°
• Cell volume: 1155.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No