Information card for entry 4069080

Structure parameters

• Formula: C16 H23 Cl N2 O2 Pd
• Calculated formula: C16 H23 Cl N2 O2 Pd
• SMILES: [Pd]12(c3c(C=N(=[O]2)C(C)(C)C)cccc3C=N(=[O]1)C(C)(C)C)Cl
• Title of publication: 1,3-Dinitrone Pincer Complexes of Palladium and Nickel: Synthesis, Structural Characterizations, and Catalysis
• Authors of publication: Zhang, Yao; Song, Guoyong; Ma, Gaoyuan; Zhao, Jing; Pan, Cheng-Ling; Li, Xingwei
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3233
• a: 11.468 ± 0.0005 Å
• b: 17.5715 ± 0.0008 Å
• c: 18.1034 ± 0.0008 Å
• α: 90°
• β: 92.367 ± 0.002°
• γ: 90°
• Cell volume: 3644.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0367
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No