Information card for entry 7154935

Structure parameters

• Formula: C42 H56 Cl2 F12 N6 P2 Rh2
• Calculated formula: C42 H56 Cl2 F12 N6 P2 Rh2
• SMILES: C1(N(C)c2c(cccc2)N1C)=[Rh]12345([c]6([c]3([c]2([c]1([c]46C)C)C)C)C)[Cl][Rh]1234(=C6N(C)c7c(cccc7)N6C)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[Cl]5.[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 10.721 ± 0.0007 Å
• b: 20.3638 ± 0.001 Å
• c: 12.6324 ± 0.0009 Å
• α: 90°
• β: 112.71 ± 0.008°
• γ: 90°
• Cell volume: 2544.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No