Information card for entry 4508644

Structure parameters

• Formula: C10 H8 I4 N2 Pd
• Calculated formula: C10 H8 I4 N2 Pd
• SMILES: I[Pd](I)([n]1ccc(cc1)I)[n]1ccc(cc1)I
• 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: 7.905 ± 0.003 Å
• b: 12.629 ± 0.005 Å
• c: 8.764 ± 0.003 Å
• α: 90°
• β: 98.975 ± 0.007°
• γ: 90°
• Cell volume: 864.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No