Information card for entry 1574107

Structure parameters

• Formula: C81 H111 B2 Cu2 N4 P3 Si2
• Calculated formula: C81 H111 B2 Cu2 N4 P3 Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=N[P](C(C)(C)C)(C(C)(C)C)[B@]2(c3ccccc3)[Cu]345[B@@]6(c7ccccc7)[P](C(C)(C)C)(C(C)(C)C)N=C(c7ccccc7)N(c7c(cccc7C(C)C)C(C)C)[Si@@]56[Cu]3([P](C)(C)C)[Si@@]124)c1ccccc1.c1ccccc1.c1ccccc1.c1(c(cccc1C(C)C)C(C)C)N1C(=N[P](C(C)(C)C)(C(C)(C)C)[B@@]2(c3ccccc3)[Cu]345[B@]6(c7ccccc7)[P](C(C)(C)C)(C(C)(C)C)N=C(c7ccccc7)N(c7c(cccc7C(C)C)C(C)C)[Si@]56[Cu]3([P](C)(C)C)[Si@]124)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
• Authors of publication: Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 6763 - 6769
• a: 15.9089 ± 0.0009 Å
• b: 12.3323 ± 0.0006 Å
• c: 40.245 ± 0.003 Å
• α: 90°
• β: 100.86 ± 0.002°
• γ: 90°
• Cell volume: 7754.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No