Information card for entry 7045031

Structure parameters

• Formula: C16 H20 Cl3 N4 O4 Pd
• Calculated formula: C16 H20 Cl3 N4 O4 Pd
• SMILES: [Pd]123(Cl)(Cl)[n]4c5cccc4C[N]2(Cc2[n]1c(ccc2)C[N]3(C5)C)C.Cl(=O)(=O)(=O)[O-]
• 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: 12.0665 ± 0.0017 Å
• b: 11.2092 ± 0.0017 Å
• c: 14.86 ± 0.002 Å
• α: 90°
• β: 100.331 ± 0.006°
• γ: 90°
• Cell volume: 1977.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No