Information card for entry 4085313

Structure parameters

• Formula: C27 H26 N4 O2 Pd
• Calculated formula: C27 H26 N4 O2 Pd
• SMILES: [Pd]1(c2c(c3[n]1cccc3)cccc2)(N1C(=O)c2ccccc2C1=O)=C1N(C=CN1C)CCCC
• Title of publication: N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene
• Authors of publication: Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 522
• a: 13.6655 ± 0.0006 Å
• b: 11.2625 ± 0.0005 Å
• c: 15.8256 ± 0.0007 Å
• α: 90°
• β: 96.263 ± 0.001°
• γ: 90°
• Cell volume: 2421.14 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No