Information card for entry 4078061

Structure parameters

• Formula: C19 H26 Cl2 N4 O3 Pd
• Calculated formula: C19 H26 Cl2 N4 O3 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2n(C(n3[n]1c(cc3C)C)c1cc(O)c(O)cc1)c(cc2C)C.OCC
• Title of publication: Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands
• Authors of publication: Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3213
• a: 9.1607 ± 0.0004 Å
• b: 14.1667 ± 0.0008 Å
• c: 9.6108 ± 0.0004 Å
• α: 90°
• β: 114.902 ± 0.003°
• γ: 90°
• Cell volume: 1131.3 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0845
• 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: No
• Has Fobs: No