Information card for entry 7041230

Structure parameters

• Formula: C50 H34 Cl6 N8 O8 Pd4
• Calculated formula: C50 H34 Cl6 N8 O8 Pd4
• 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: 12.412 ± 0.004 Å
• b: 13.358 ± 0.003 Å
• c: 17.436 ± 0.004 Å
• α: 111.52 ± 0.007°
• β: 106.4 ± 0.011°
• γ: 91.53 ± 0.015°
• Cell volume: 2552.3 ± 1.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0676
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No