Information card for entry 4068817

Structure parameters

• Formula: C49 H56 N6 O Rh2
• Calculated formula: C48 H52 N6 Rh2
• SMILES: [Rh]1234(n5[n]([Rh]678(n9[n]1c(c(n9)[C@@H](C)c1ccccc1)c1ccccc1)[CH]1=[CH]6CC[CH]7=[CH]8CC1)c(c(n5)[C@@H](C)c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Rh]1234(n5[n]([Rh]678(n9[n]1c(c(n9)[C@H](C)c1ccccc1)c1ccccc1)[CH]1=[CH]6CC[CH]7=[CH]8CC1)c(c(n5)[C@H](C)c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Synthesis and Characterization of NH-triazole-Bound Rhodium(I) Complexes: Substituted-Group-Controlled Regioselective Coordination
• Authors of publication: Duan, Haifeng; Sengupta, Sujata; Petersen, Jeffrey L.; Shi, Xiaodong
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2352
• a: 10.9748 ± 0.0008 Å
• b: 12.4684 ± 0.0009 Å
• c: 17.0118 ± 0.0013 Å
• α: 99.108 ± 0.001°
• β: 96.845 ± 0.001°
• γ: 107.042 ± 0.001°
• Cell volume: 2163.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No