Information card for entry 7714920

Structure parameters

• Formula: C39.92 H47.28 Cl0.12 N7 Ni O6.16
• Calculated formula: C39.92 H47.28 Cl0.12 N7 Ni O6.16
• Title of publication: A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.
• Authors of publication: Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2749 - 2761
• a: 12.26757 ± 0.00015 Å
• b: 13.99843 ± 0.00013 Å
• c: 22.5929 ± 0.0002 Å
• α: 90°
• β: 97.2879 ± 0.0011°
• γ: 90°
• Cell volume: 3848.46 ± 0.07 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No