Information card for entry 7041231

Structure parameters

• Formula: C13 H10 Cl4 N2 O Pd
• Calculated formula: C13 H10 Cl4 N2 O Pd
• Title of publication: Pincer-plus-one ligands in self-assembly with palladium(ii): a molecular square and a molecular tetrahedron.
• Authors of publication: Behnia, Ava; Boyle, Paul D.; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19485 - 19490
• a: 12.823 ± 0.003 Å
• b: 7.1043 ± 0.0014 Å
• c: 16.997 ± 0.006 Å
• α: 90°
• β: 90.137 ± 0.016°
• γ: 90°
• Cell volume: 1548.4 ± 0.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No