Information card for entry 4064181

Structure parameters

• Formula: C38 H62 I4 N10 Pd2
• Calculated formula: C38 H62 I4 N10 Pd2
• SMILES: C(=N\C1CCCCC1)(c1c(C)n(C)[n+](c1C)CC)\[Pd]1(I)[I][Pd](C(=N\C2CCCCC2)/c2c(C)[n+](C)n(c2C)CC)(I)[I]1.CC#N.C(#N)C.C(#N)C.C(#N)C
• 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: 8.7 ± 0.0011 Å
• b: 10.0247 ± 0.0013 Å
• c: 15.825 ± 0.002 Å
• α: 81.02 ± 0.003°
• β: 85.403 ± 0.003°
• γ: 66.2 ± 0.002°
• Cell volume: 1247.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No