Information card for entry 4069911

Structure parameters

• Formula: C30 H28 Cl F6 P3 Ru
• Calculated formula: C30 H28 Cl F6 P3 Ru
• SMILES: [Ru]123456(Cl)([P](c7ccccc7)(c7ccccc7)C(=C[P]1(C#CC)c1ccccc1)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stepwise Functionalization of Two Alkyne Moieties in a Dialkynylphosphine Complex Leading to the Formation of a Bifunctionalized Phosphine Complex Bearing a Stereogenic Center at Phosphorus
• Authors of publication: Luo, Ding; Li, Yongxin; Tan, Kien-Wee; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6266
• a: 11.549 ± 0.0006 Å
• b: 18.2762 ± 0.001 Å
• c: 14.6245 ± 0.0008 Å
• α: 90°
• β: 102.269 ± 0.002°
• γ: 90°
• Cell volume: 3016.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No