Information card for entry 7047220

Structure parameters

• Formula: C31 H32 Cl8 N2 Pd
• Calculated formula: C31 H32 Cl8 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: 8.8725 ± 0.0012 Å
• b: 12.8984 ± 0.0018 Å
• c: 15.781 ± 0.002 Å
• α: 88.721 ± 0.003°
• β: 77.111 ± 0.003°
• γ: 76.355 ± 0.003°
• Cell volume: 1709.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.148
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No