Information card for entry 7126083

Structure parameters

• Formula: C62 H70 F6 N4 Ni2 O11 S2
• Calculated formula: C62 H70 F6 N4 Ni2 O11 S2
• 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: 12.8801 ± 0.001 Å
• b: 14.0913 ± 0.0011 Å
• c: 17.4958 ± 0.0013 Å
• α: 81.586 ± 0.002°
• β: 77.019 ± 0.003°
• γ: 84.657 ± 0.003°
• Cell volume: 3055 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No