Information card for entry 7126082

Structure parameters

• Formula: C42 H55.5 N4.5 Ni1.5 Si3
• Calculated formula: C42 H55.5 N4.5 Ni1.5 Si3
• 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: 23.5957 ± 0.0007 Å
• b: 13.6797 ± 0.0004 Å
• c: 26.9113 ± 0.0008 Å
• α: 90°
• β: 101.433 ± 0.001°
• γ: 90°
• Cell volume: 8514.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No