Information card for entry 4072033

Structure parameters

• Formula: C27 H32 Cl N4 Rh
• Calculated formula: C27 H32 Cl N4 Rh
• SMILES: [Rh]123(Cl)(=C4N(N=CN4N4[C@@H](CC[C@H]4c4ccccc4)c4ccccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 8.6322 ± 0.0002 Å
• b: 16.3296 ± 0.0003 Å
• c: 9.2517 ± 0.0002 Å
• α: 90°
• β: 109.21 ± 0.001°
• γ: 90°
• Cell volume: 1231.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No