Information card for entry 7154937

Structure parameters

• Formula: C21 H29 Cl F6 N4 P Rh
• Calculated formula: C21 H29 Cl F6 N4 P Rh
• SMILES: C12N(C=CN1CCCC)c1nccc[n]1[Rh]1345=2([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.
• Authors of publication: Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2550 - 2555
• a: 14.8991 ± 0.0004 Å
• b: 15.3359 ± 0.0005 Å
• c: 22.4136 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5121.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No