Information card for entry 2010671

Structure parameters

• Formula: C14 H33 N6 O11.5 Pd
• Calculated formula: C14 H33 N6 O11.5 Pd
• SMILES: [Pd]1(OC2N(C(=O)N(C)C(=O)C=2)C)([NH2]CC[NH2]1)C1C(=O)N(C(=O)N(C)C1=O)C.O.O.O.O.O.O
• Title of publication: An organopalladium(II) compound including enolate oxygen- and <i>sp</i>^3^-carbon-bound 1,3-dimethylbarbiturate ligands: (1,2-diaminoethane)bis(1,3-dimethylbarbiturato)palladium(II) 5.5-hydrate
• Authors of publication: Noguchi, Kishie; Yuge, Hidetaka; Miyamoto, Takeshi Ken
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e40 - e41
• a: 24.225 ± 0.003 Å
• b: 8.307 ± 0.003 Å
• c: 25.396 ± 0.002 Å
• α: 90°
• β: 113.505 ± 0.005°
• γ: 90°
• Cell volume: 4686.6 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes