Information card for entry 4508643

Structure parameters

• Formula: C10 H8 Br2 Cl2 N2 Pd
• Calculated formula: C10 H8 Br2 Cl2 N2 Pd
• SMILES: [Pd]([n]1ccc(cc1)Br)([n]1ccc(cc1)Br)(Cl)Cl
• Title of publication: M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)
• Authors of publication: Zordan, Fiorenzo; Brammer, Lee
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1374
• a: 5.4648 ± 0.0011 Å
• b: 6.96 ± 0.0014 Å
• c: 9.5925 ± 0.0019 Å
• α: 75.117 ± 0.003°
• β: 84.477 ± 0.003°
• γ: 84.631 ± 0.003°
• Cell volume: 350.07 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No