Information card for entry 1565127

Structure parameters

• Formula: C86 H92 Cl12 N20 O16 Zn2
• Calculated formula: C82 H88 N20 O16 Zn2
• Title of publication: Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes
• Authors of publication: He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.3631 ± 0.0011 Å
• b: 33.868 ± 0.003 Å
• c: 26.769 ± 0.003 Å
• α: 90°
• β: 101.816 ± 0.002°
• γ: 90°
• Cell volume: 10083.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No