Information card for entry 7014780

Structure parameters

• Common name: [C,NH]PdI2py (10)
• Formula: C31 H40.5 Cl I2 N4 Pd
• Calculated formula: C29 H36 I2 N4 Pd
• SMILES: [Pd](I)(I)([n]1ccccc1)=C1N(C=CN1C(C)C)c1ccccc1Nc1c(cccc1C(C)C)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: 13.616 ± 0.009 Å
• b: 15.293 ± 0.01 Å
• c: 18.724 ± 0.013 Å
• α: 73.804 ± 0.012°
• β: 73.014 ± 0.012°
• γ: 64.088 ± 0.012°
• Cell volume: 3302 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No