Information card for entry 7020090

Structure parameters

• Formula: C53 H44 F6 O P3 Rh
• Calculated formula: C53 H44 F6 O P3 Rh
• SMILES: [Rh]123(C#[O])[P](c4c([C]2#[C]3c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].Cc1ccccc1.Cc1ccccc1
• Title of publication: Alkyne-coordinating tridentate ligands: structural properties and reactivity of their rhodium complexes.
• Authors of publication: Okamoto, Kazuhiro; Omoto, Yusuke; Sano, Hayato; Ohe, Kouichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10926 - 10929
• a: 11.129 ± 0.004 Å
• b: 14.638 ± 0.005 Å
• c: 15.649 ± 0.005 Å
• α: 98.691 ± 0.005°
• β: 90.116 ± 0.003°
• γ: 112.174 ± 0.003°
• Cell volume: 2328.8 ± 1.4 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No