Information card for entry 2202708

Structure parameters

• Formula: C9 H12 Br2 N4 Pd
• Calculated formula: C9 H12 Br2 N4 Pd
• SMILES: [Pd]1(Br)(Br)c2n(cc[n]2Cn2c1[n](cc2)C)C
• Title of publication: Dibromo(1,1'-dimethyl-3,3'-methylenediimidazoline-2,2'-diylidene)palladium(II)
• Authors of publication: Herdtweck, E.; Muehlhofer, M.; Strassner, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m970 - m971
• a: 8.5614 ± 0.0001 Å
• b: 16.0701 ± 0.0002 Å
• c: 10.2978 ± 0.0002 Å
• α: 90°
• β: 110.467 ± 0.0007°
• γ: 90°
• Cell volume: 1327.36 ± 0.03 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes