Information card for entry 7118518

Structure parameters

• Chemical name: dichloro[diphenyl-(2-pyridyl)phosphine-1-N]zinc(II)
• Formula: C34 H28 Cl2 N2 P2 Zn
• Calculated formula: C34 H28 Cl2 N2 P2 Zn
• SMILES: Cl[Zn]([n]1c(cccc1)P(c1ccccc1)c1ccccc1)([n]1c(cccc1)P(c1ccccc1)c1ccccc1)Cl
• Title of publication: Facilitated carbon dioxide reduction using a Zn(ii) complex.
• Authors of publication: Donovan, Elizabeth S.; Barry, Brian M.; Larsen, Christopher A.; Wirtz, Melissa N.; Geiger, William E.; Kemp, Richard A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1685 - 1688
• a: 21.6754 ± 0.0006 Å
• b: 11.3153 ± 0.0003 Å
• c: 12.8588 ± 0.0003 Å
• α: 90°
• β: 102.895 ± 0.002°
• γ: 90°
• Cell volume: 3074.26 ± 0.14 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No