Information card for entry 7126080

Structure parameters

• Formula: C30 H30 F N2 Ni O2
• Calculated formula: C30 H30 F N2 Ni O2
• Title of publication: Selective metalation of phenol-type proligands for preparative organometallic chemistry.
• Authors of publication: Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 28
• Pages of publication: 3987 - 3990
• a: 14.4635 ± 0.0013 Å
• b: 6.9797 ± 0.0006 Å
• c: 25.786 ± 0.002 Å
• α: 90°
• β: 100.159 ± 0.005°
• γ: 90°
• Cell volume: 2562.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No