Information card for entry 7047219

Structure parameters

• Formula: C29 H29 Cl N2 Pd
• Calculated formula: C29 H29 Cl N2 Pd
• Title of publication: Ligand and solvent control of selectivity in the C-H activation of a pyridylimine-substituted 1-naphthalene; a combined synthetic and computational study.
• Authors of publication: Simayi, Rena; Gillbard, Simone M.; Cross, Warren B.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11680 - 11690
• a: 9.763 ± 0.002 Å
• b: 14.505 ± 0.003 Å
• c: 16.773 ± 0.004 Å
• α: 90°
• β: 97.29 ± 0.004°
• γ: 90°
• Cell volume: 2356.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No