Information card for entry 7002047

Structure parameters

• Formula: C23 H18 Cl N3 Pd
• Calculated formula: C23 H18 Cl N3 Pd
• SMILES: [Pd]12(Cl)(=C3N4C(=NN3c3ccccc3)c3c(cccc3)c3c4cccc3)[CH2]=[CH]1C2
• 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: 9.5846 ± 0.0006 Å
• b: 30.038 ± 0.002 Å
• c: 7.0204 ± 0.0005 Å
• α: 90°
• β: 108.42 ± 0.003°
• γ: 90°
• Cell volume: 1917.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No