Information card for entry 7039061

Structure parameters

• Formula: C26 H19 Cl N2 O Pd
• Calculated formula: C26 H19 Cl N2 O Pd
• SMILES: [Pd]12([N](=Cc3ccccc3O1)c1ccc(Cl)cc1)[N](=Cc1c2cccc1)c1ccccc1
• Title of publication: Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.
• Authors of publication: Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8601 - 8613
• a: 9.3779 ± 0.0008 Å
• b: 10.1838 ± 0.0009 Å
• c: 22.3045 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No