Information card for entry 4064179

Structure parameters

• Formula: C16 H21 I2 N3 Pd
• Calculated formula: C16 H21 I2 N3 Pd
• SMILES: C1(N(C)c2c(cccc2)N1C)=[Pd](C#[N]C1CCCCC1)(I)I
• Title of publication: Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides
• Authors of publication: Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1224
• a: 18.2082 ± 0.0008 Å
• b: 10.1839 ± 0.0004 Å
• c: 10.8874 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2018.86 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No