Information card for entry 4103846

Structure parameters

• Formula: C10 H10 I2 N2 Pd
• Calculated formula: C10 H10 I2 N2 Pd
• SMILES: c1cccc[n]1[Pd](I)(I)[n]1ccccc1
• Title of publication: trans-Difluoro Complexes of Palladium(II)
• Authors of publication: Vladimir V. Grushin; William J. Marshall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 918 - 919
• a: 8.71 ± 0.003 Å
• b: 14.865 ± 0.005 Å
• c: 5.3681 ± 0.0018 Å
• α: 90°
• β: 100.127 ± 0.005°
• γ: 90°
• Cell volume: 684.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No