Information card for entry 4342546

Structure parameters

• Formula: C27 H28 F12 N O3 P2 Rh
• Calculated formula: C27 H28 F12 N O3 P2 Rh
• SMILES: [Rh]12([P](c3cc(ccc3N2c2ccc(cc2[P]1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.
• Authors of publication: Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2916 - 2935
• a: 8.7524 ± 0.0018 Å
• b: 11.495 ± 0.002 Å
• c: 17.8 ± 0.005 Å
• α: 101.553 ± 0.003°
• β: 95.071 ± 0.003°
• γ: 111.188 ± 0.002°
• Cell volume: 1610.4 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No