Information card for entry 2008779

Structure parameters

• Chemical name: Dichloro-(tetrahydrogen-ethylenediamine-tetraacetate)-palladium(II) hexahydrate
• Formula: C10 H28 Cl2 N2 O14 Pd
• Calculated formula: C10 H28 Cl2 N2 O14 Pd
• SMILES: C([N]1(CC(=O)O)CC[N]([Pd]1(Cl)Cl)(CC(=O)O)CC(=O)O)C(=O)O.O.O.O.O.O.O
• Title of publication: Dichloro(ethylenediaminetetraacetic acid)palladium(II) hexahydrate
• Authors of publication: Xue-mei Luo; Xiao-hua Chen; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Long-gen Zhu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1220 - 1222
• a: 10.1962 ± 0.0002 Å
• b: 10.1962 ± 0.0002 Å
• c: 21.0571 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.15 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes