Information card for entry 7032898

Structure parameters

• Formula: C56 H82 B2 F8 N6 Pd
• Calculated formula: C56 H82 B2 F8 N6 Pd
• SMILES: [B](F)(F)(F)[F-].C1N(c2c(cccc2C(C)C)C(C)C)C(=[NH][Pd]2([N]=1c1c(cccc1C(C)C)C(C)C)[N](=CN(c1c(cccc1C(C)C)C(C)C)C(=[NH]2)CC)c1c(cccc1C(C)C)C(C)C)CC.[B](F)(F)(F)[F-]
• 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: 11.417 ± 0.005 Å
• b: 12.755 ± 0.005 Å
• c: 19.529 ± 0.005 Å
• α: 90 ± 0°
• β: 97.614 ± 0°
• γ: 90 ± 0°
• Cell volume: 2818.8 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No