Information card for entry 2225021

Structure parameters

• Chemical name: {[1-(2-Aminoethylamino)-1-methylethyl]phosphonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chloridopalladium(II) monohydrate
• Formula: C5 H16 Cl N2 O4 P Pd
• Calculated formula: C5 H16 Cl N2 O4 P Pd
• SMILES: [Pd]12(Cl)[NH](C(P(=O)(O2)O)(C)C)CC[NH2]1.O
• Title of publication: {[1-(2-Aminoethylamino)-1-methylethyl]phosphonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chloridopalladium(II) monohydrate
• Authors of publication: Dudko, Anatolij; Bon, Vladimir; Kozachkova, Alexandra; Tsaryk, Natalia; Pekhnyo, Vasily
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m182
• a: 7.2158 ± 0.0002 Å
• b: 7.8981 ± 0.0002 Å
• c: 10.3179 ± 0.0003 Å
• α: 97.968 ± 0.002°
• β: 98.403 ± 0.002°
• γ: 95.894 ± 0.002°
• Cell volume: 571.55 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes