Information card for entry 7014778

Structure parameters

• Common name: [CNC-n-Bu]PdI (7b)
• Formula: C32 H36 I N5 Pd
• Calculated formula: C32 H36 I N5 Pd
• SMILES: [Pd]12(=C3N(c4c(N1c1c(N5C=2N(C=C5)CCCC)cccc1)cccc4)C=CN3CCCC)I.c1ccccc1
• 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: 29.37 ± 0.005 Å
• b: 20.178 ± 0.003 Å
• c: 10.3042 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6106.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No