Information card for entry 7126081

Structure parameters

• Formula: C28 H37 N3 Ni O Si2
• Calculated formula: C28 H37 N3 Ni O Si2
• SMILES: [Ni]12(Oc3c(cc(C(C)(C)C)cc3)c3[n]2c2c4[n]1cccc4ccc2cc3)N([Si](C)(C)C)[Si](C)(C)C
• 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: 11.9534 ± 0.0007 Å
• b: 13.7247 ± 0.0007 Å
• c: 17.1253 ± 0.001 Å
• α: 90°
• β: 93.572 ± 0.001°
• γ: 90°
• Cell volume: 2804.1 ± 0.3 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: 0.0314
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No