Information card for entry 7021225

Structure parameters

• Formula: C14 H14 Br2 N4 Pd
• Calculated formula: C14 H14 Br2 N4 Pd
• SMILES: [Pd]1(Br)(Br)=C2N(C=CN2c2ccccc2N2C=1N(C=C2)C)C
• 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: 12.415 ± 0.0009 Å
• b: 9.508 ± 0.002 Å
• c: 14.053 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1658.8 ± 0.4 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No