Information card for entry 4080737

Structure parameters

• Formula: C28 H24 N3 P
• Calculated formula: C28 H24 N3 P
• SMILES: P(c1c(Nc2c(n3nccc3)cc(cc2)C)cccc1)(c1ccccc1)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: 9.8762 ± 0.0003 Å
• b: 10.5856 ± 0.0003 Å
• c: 12.9701 ± 0.0004 Å
• α: 72.002 ± 0.003°
• β: 69.415 ± 0.003°
• γ: 64.541 ± 0.003°
• Cell volume: 1125.96 ± 0.07 ų
• Cell temperature: 100.6 K
• Ambient diffraction temperature: 100.6 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No