Information card for entry 7032894

Structure parameters

• Formula: C27 H39 Cl2 N3 Pd
• Calculated formula: C27 H39 Cl2 N3 Pd
• SMILES: C1N(c2c(cccc2C(C)C)C(C)C)C(=[NH][Pd]([N]=1c1c(cccc1C(C)C)C(C)C)(Cl)Cl)C
• Title of publication: Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.
• Authors of publication: Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 758 - 766
• a: 10.4915 ± 0.0007 Å
• b: 12.16 ± 0.0008 Å
• c: 13.879 ± 0.0009 Å
• α: 68.813 ± 0.001°
• β: 68.158 ± 0.001°
• γ: 75.069 ± 0.002°
• Cell volume: 1516.83 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No