Information card for entry 4083261

Structure parameters

• Formula: C26 H28 Cl N2 Rh
• Calculated formula: C26 H28 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(c5c(cccc5)CN4Cc4ccccc4)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity
• Authors of publication: Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8275
• a: 17.6029 ± 0.0005 Å
• b: 10.3894 ± 0.0003 Å
• c: 13.4838 ± 0.0003 Å
• α: 90°
• β: 102.376 ± 0.001°
• γ: 90°
• Cell volume: 2408.66 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No