Information card for entry 4080741

Structure parameters

• Formula: C45 H50 I N5 P Rh
• Calculated formula: C45 H50 I N5 P Rh
• SMILES: [I-].[Rh]12([P](c3c(N1c1c(n4[n]2ccc4)cc(cc1)C)cccc3)(c1ccccc1)c1ccccc1)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)C.c1ccccc1
• Title of publication: Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand
• Authors of publication: Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2885
• a: 10.7444 ± 0.0003 Å
• b: 14.5778 ± 0.0004 Å
• c: 15.3318 ± 0.0004 Å
• α: 100.965 ± 0.002°
• β: 104.59 ± 0.003°
• γ: 103.059 ± 0.003°
• Cell volume: 2184.71 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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 all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No