Information card for entry 4066838

Structure parameters

• Formula: C52 H59 Ag Cl2 F6 N3 O2 P
• Calculated formula: C52 H59 Ag Cl2 F6 N3 O2 P
• SMILES: [Ag]1=C2N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(cc(cc2C(C)C)c2c3c(ccc2)C(c2c(c(c4ccc(C5=[N]1CCO5)cc4)ccc2)O3)(C)C)C(C)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.5772 ± 0.0016 Å
• b: 13.0304 ± 0.0013 Å
• c: 24.247 ± 0.002 Å
• α: 90°
• β: 103.691 ± 0.001°
• γ: 90°
• Cell volume: 5088.7 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No