Information card for entry 4066837

Structure parameters

• Formula: C51 H57 Ag Cl N3 O2
• Calculated formula: C51 H57 Ag Cl N3 O2
• SMILES: [Ag](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C(C)C)c1c2c(ccc1)C(c1cccc(c3ccc(C4=NCCO4)cc3)c1O2)(C)C)C(C)C)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: 33.403 ± 0.005 Å
• b: 13.812 ± 0.0019 Å
• c: 22.626 ± 0.003 Å
• α: 90°
• β: 119.384 ± 0.002°
• γ: 90°
• Cell volume: 9096 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No