Information card for entry 4080743

Structure parameters

• Formula: C39 H44 I N5 O0.25 P Rh
• Calculated formula: C39 H44 I N5 O0.253 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.O
• 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: 10.6257 ± 0.0004 Å
• b: 13.1378 ± 0.0005 Å
• c: 15.8308 ± 0.0006 Å
• α: 97.659 ± 0.003°
• β: 107.384 ± 0.003°
• γ: 111.238 ± 0.004°
• Cell volume: 1891.93 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0297
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No