Information card for entry 1507592

Structure parameters

• Formula: C38 H48 Cl2 N6 Rh2
• Calculated formula: C38 H48 Cl2 N6 Rh2
• SMILES: [Rh]123(Cl)(=C4C(C5C(=[Rh]678(Cl)[CH]9=[CH]6CC[CH]7=[CH]8CC9)N(N=N=5C)[C@@H](c5ccccc5)C)=N(=NN4[C@@H](c4ccccc4)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.
• Authors of publication: Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1866 - 1868
• a: 12.2404 ± 0.0001 Å
• b: 16.9563 ± 0.0001 Å
• c: 17.6791 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3669.33 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No