Information card for entry 4072032

Structure parameters

• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: N1(n2cnnc2)[C@@H](CC[C@H]1c1ccccc1)c1ccccc1
• Title of publication: Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes
• Authors of publication: Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4555
• a: 10.8815 ± 0.0004 Å
• b: 14.5747 ± 0.0007 Å
• c: 19.4944 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3091.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No