Information card for entry 1507591

Structure parameters

• Formula: C37 H46 Cl2 N6 Rh2
• Calculated formula: C37 H46 Cl2 N6 Rh2
• 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: 11.5888 ± 0.0001 Å
• b: 20.8645 ± 0.0002 Å
• c: 29.5473 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7144.38 ± 0.12 ų
• Cell temperature: 100 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No