Information card for entry 7045029

Structure parameters

• Formula: C20 H27 Cl3 N5 O6 Pd
• Calculated formula: C20 H27 Cl3 N5 O5.624 Pd
• Title of publication: Electronic versus steric effects of pyridinophane ligands on Pd(iii) complexes.
• Authors of publication: Tang, Fengzhi; Park, Sungho V.; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1151 - 1158
• a: 8.0151 ± 0.0007 Å
• b: 9.9646 ± 0.001 Å
• c: 16.2762 ± 0.0016 Å
• α: 90°
• β: 102.854 ± 0.004°
• γ: 90°
• Cell volume: 1267.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No