Information card for entry 7029583

Structure parameters

• Formula: C20 H20 N10
• Calculated formula: C20 H20 N10
• SMILES: c1(Cn2cc(Cn3cccn3)nn2)ccc(cc1)Cn1cc(Cn2cccn2)nn1
• Title of publication: Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.
• Authors of publication: Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7540 - 7553
• a: 21.252 ± 0.004 Å
• b: 4.4589 ± 0.0009 Å
• c: 10.309 ± 0.002 Å
• α: 90°
• β: 100.184 ± 0.009°
• γ: 90°
• Cell volume: 961.5 ± 0.3 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 181 ± 2 K
• Number of distinct elements: 3
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No