Information card for entry 4508642

Structure parameters

• Formula: C10 H8 Cl4 N2 Pd
• Calculated formula: C10 H8 Cl4 N2 Pd
• SMILES: [Pd]([n]1ccc(cc1)Cl)([n]1ccc(cc1)Cl)(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: 3.9039 ± 0.0008 Å
• b: 7.6551 ± 0.0017 Å
• c: 11.74 ± 0.003 Å
• α: 106.368 ± 0.004°
• β: 90.135 ± 0.004°
• γ: 98.92 ± 0.004°
• Cell volume: 332.16 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No