Information card for entry 7014777

Structure parameters

• Common name: [CNC-i-Pr]PdI (7a)
• Formula: C36 H38 I N5 Pd
• Calculated formula: C24 H26 I N5 Pd
• SMILES: c12c(cccc1)N1C(=[Pd]3(N2c2c(cccc2)N2C=3N(C=C2)C(C)C)I)N(C=C1)C(C)C
• Title of publication: N-heterocyclic carbene tethered amido complexes of palladium and platinum.
• Authors of publication: Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 495 - 505
• a: 10.8012 ± 0.0019 Å
• b: 19.746 ± 0.004 Å
• c: 15.23 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3248.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No