Information card for entry 7060981

Structure parameters

• Formula: C46 H59 Cl Co N2 O2 P3 Si
• Calculated formula: C46 H59 Cl Co N2 O2 P3 Si
• SMILES: [Co]12([P](OCC2CO[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C)(C)C)[Si]1(Cl)[N](C(C)(C)C)=C(N1C(C)(C)C)c1ccc(cc1)C
• Title of publication: Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes
• Authors of publication: Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 19950 - 19956
• a: 13.6916 ± 0.0005 Å
• b: 13.9509 ± 0.0008 Å
• c: 47.3618 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9046.6 ± 0.6 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No