Information card for entry 7002045

Structure parameters

• Formula: C21 H23 Cl N3 Rh
• Calculated formula: C21 H23 Cl N3 Rh
• SMILES: [Rh]123(Cl)(=C4N(N=C5N4C(=CC=C5)C)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Synthesis, structure and properties of [1,2,4]triazolo[4,3-a]pyridin-3-ylidene rhodium and palladium complexes
• Authors of publication: Iglesias-Sigüenza, Javier; Ros, Abel; Díez, Elena; Alcarazo, Manuel; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7113
• a: 23.5474 ± 0.0017 Å
• b: 16.3564 ± 0.0012 Å
• c: 9.7329 ± 0.0007 Å
• α: 90°
• β: 91.31 ± 0.003°
• γ: 90°
• Cell volume: 3747.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No