Information card for entry 7063100

Structure parameters

• Formula: C52 H54 Cl2 Co N2 P2 Si2
• Calculated formula: C52 H54 Cl2 Co N2 P2 Si2
• SMILES: [Co]12(Cl)([P](c3ccccc3[Si]2(c2ccccc2[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[Si]1(Cl)[N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1
• Title of publication: Effects of silylene ligands on the catalytic activity of [PSiP] pincer cobalt(ii) chloride for N2 silylation
• Authors of publication: Zhang, Min; Dong, Yanhong; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 7334 - 7339
• a: 15.8498 ± 0.0002 Å
• b: 16.2943 ± 0.0002 Å
• c: 18.5455 ± 0.0002 Å
• α: 90°
• β: 98.377 ± 0.001°
• γ: 90°
• Cell volume: 4738.49 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No