Information card for entry 7714861

Structure parameters

• Formula: C29 H45 B Cl2 N3 P Si
• Calculated formula: C29 H45 B Cl2 N3 P Si
• SMILES: P(Cl)(Cl)N([Si](C)(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• Title of publication: Boron diamide derivatives containing N-N and N-P molecular fragments.
• Authors of publication: Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2159 - 2166
• a: 10.0999 ± 0.0006 Å
• b: 16.8384 ± 0.0011 Å
• c: 19.342 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3289.4 ± 0.3 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No