Information card for entry 7021227

Structure parameters

• Formula: C27.5 H24 Br4 Cl3 N4 Pd
• Calculated formula: C27.5 H24 Br4 Cl3 N4 Pd
• Title of publication: ortho-Phenylene bridged palladium bis-N-heterocyclic carbene complexes: synthesis, structure and catalysis.
• Authors of publication: Munz, Dominik; Poethig, Alexander; Tronnier, Alexander; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7297 - 7304
• a: 21.297 ± 0.002 Å
• b: 18.653 ± 0.005 Å
• c: 15.986 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6350 ± 2 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No