Information card for entry 4072035

Structure parameters

• Formula: C37 H50 F6 N4 Rh S Sb
• Calculated formula: C37 H50 F6 N4 Rh S Sb
• SMILES: [Rh]1234([S]([C@@H](CN5N=CN(N6[C@@H](CC[C@H]6c6ccccc6)c6ccccc6)C=15)C(C)C)C1CCCCC1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 10.9659 ± 0.0013 Å
• b: 14.9455 ± 0.0017 Å
• c: 23.038 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3775.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No