Information card for entry 4066840

Structure parameters

• Formula: C34 H29 Cl2 N3 O2 Pd
• Calculated formula: C34 H29 Cl2 N3 O2 Pd
• SMILES: C12N(C=CN1C)c1ccc(cc1)c1cccc3c1Oc1c(C3(C)C)cccc1c1ccc(cc1)C1=[N](CCO1)[Pd]=2(Cl)Cl
• Title of publication: Synthesis and Characterization of Silver and Palladium Complexes with Xanthene-Based N-Heterocyclic Carbene−Oxazoline Ligands
• Authors of publication: Makino, Takeshi; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma; Saito, Shinichi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6291
• a: 10.1544 ± 0.0014 Å
• b: 22.808 ± 0.003 Å
• c: 12.5404 ± 0.0017 Å
• α: 90°
• β: 91.048 ± 0.002°
• γ: 90°
• Cell volume: 2903.9 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No