Information card for entry 7717417

Structure parameters

• Formula: C51.5 H75 N3 O2 P Sc Si
• Calculated formula: C51.5 H75 N3 O2 P Sc Si
• Title of publication: Reactions of a geminal Sc/P Lewis pair with pyridotetrazole and beyond.
• Authors of publication: Guan, Yiwen; Xu, Xian; Xu, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 222 - 230
• a: 11.2343 ± 0.0005 Å
• b: 11.7686 ± 0.0006 Å
• c: 21.1672 ± 0.001 Å
• α: 78.026 ± 0.002°
• β: 78.416 ± 0.002°
• γ: 68.27 ± 0.002°
• Cell volume: 2519.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No