Information card for entry 7021732

Structure parameters

• Formula: C60 H56 Cl4 N12 O Pd2
• Calculated formula: C60 H56 Cl4 N12 O Pd2
• Title of publication: Abnormal carbenes derived from the 1,5-cycloaddition product between azides and alkynes: structural characterization of Pd(ii) complexes and their catalytic properties.
• Authors of publication: Hohloch, Stephan; Frey, Wolfgang; Su, Cheng-Yong; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11355 - 11358
• a: 13.4987 ± 0.0018 Å
• b: 14.889 ± 0.002 Å
• c: 14.0557 ± 0.0019 Å
• α: 90°
• β: 97.797 ± 0.003°
• γ: 90°
• Cell volume: 2798.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No