Information card for entry 4339652

Structure parameters

• Formula: C3 H10 Cl2 N2 O Pd
• Calculated formula: C3 H10 Cl2 N2 O Pd
• SMILES: [Pd]1([NH2]CC(O)C[NH2]1)(Cl)Cl
• Title of publication: Cyclic tetranuclear and hexanuclear palladium(II) complexes and their host-guest chemistry.
• Authors of publication: Walmsley, Judith A.; Zhu, Shourong; Matilla, Antonio; Donowick, Tiffanee G.; Cramp, Jessica E.; Tercero, Jose Manuel; Dalrymple, Tatyana
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9945 - 9953
• a: 8.533 ± 0.002 Å
• b: 8.766 ± 0.002 Å
• c: 10.749 ± 0.002 Å
• α: 90°
• β: 105.01 ± 0.03°
• γ: 90°
• Cell volume: 776.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No