Information card for entry 7021733

Structure parameters

• Formula: C32 H30 Cl2 N6 Pd
• Calculated formula: C32 H30 Cl2 N6 Pd
• SMILES: c1(c(c2ccccc2)n(Cc2ccccc2)n[n+]1C)[Pd](Cl)(c1c(c2ccccc2)n(Cc2ccccc2)n[n+]1C)Cl
• 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: 16.427 ± 0.003 Å
• b: 8.2599 ± 0.0012 Å
• c: 12.1501 ± 0.0017 Å
• α: 90°
• β: 116.214 ± 0.007°
• γ: 90°
• Cell volume: 1479 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No