Information card for entry 2226786

Structure parameters

• Chemical name: [<i>rac</i>-2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](ethylendiamine- κ^2^<i>N</i>,<i>N</i>')palladium(II) 3,5-dimethylbenzoate
• Formula: C19 H27 N3 O2 Pd
• Calculated formula: C19 H27 N3 O2 Pd
• SMILES: [Pd]12([NH2]C(c3c2cccc3)C)[NH2]CC[NH2]1.O=C([O-])c1cc(cc(c1)C)C
• Title of publication: [<i>rac</i>-2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](ethylendiamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) 3,5-dimethylbenzoate
• Authors of publication: Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m977
• a: 7.9624 ± 0.0009 Å
• b: 28.615 ± 0.003 Å
• c: 8.5964 ± 0.001 Å
• α: 90°
• β: 100.616 ± 0.002°
• γ: 90°
• Cell volume: 1925.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes