Information card for entry 7127967

Structure parameters

• Chemical name: {(MeSiP2)Co}2(N2)
• Formula: C50 H78 Co2 N2 P4 Si2
• Calculated formula: C50 H78 Co2 N2 P4 Si2
• SMILES: [Co]12([N]#[N][Co]34[Si](c5c([P]3(C(C)C)C(C)C)cccc5)(c3c([P]4(C(C)C)C(C)C)cccc3)C)[Si](c3c([P]1(C(C)C)C(C)C)cccc3)(c1c([P]2(C(C)C)C(C)C)cccc1)C
• Title of publication: Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.
• Authors of publication: So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 26
• Pages of publication: 3219 - 3222
• a: 11.9844 ± 0.0004 Å
• b: 13.1181 ± 0.0004 Å
• c: 17.6206 ± 0.0006 Å
• α: 98.615 ± 0.002°
• β: 98.07 ± 0.002°
• γ: 104.748 ± 0.002°
• Cell volume: 2602.12 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No