Information card for entry 4084453

Structure parameters

• Formula: C31 H33 B Cl3 N6 O2 P Se W
• Calculated formula: C31 H33 B Cl3 N6 O2 P Se W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(#CP(=[Se])(c1ccccc1)c1ccccc1)(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: Synthesis and Reactivity of Phosphinocarbyne Complexes
• Authors of publication: Colebatch, Annie L.; Hill, Anthony F.; Sharma, Manab
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2165
• a: 10.2609 ± 0.0002 Å
• b: 10.4116 ± 0.0001 Å
• c: 17.5341 ± 0.0003 Å
• α: 90.5897 ± 0.0011°
• β: 91.1982 ± 0.0009°
• γ: 106.372 ± 0.001°
• Cell volume: 1796.6 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No