Information card for entry 1519261

Structure parameters

• Formula: C12 H18 Cl2 N6 O6 Pd
• Calculated formula: C12 H18 Cl2 N6 O6 Pd
• SMILES: [Pd](Cl)(Cl)([n]1c(n(c(N(=O)=O)c1)CCO)C)[n]1c(n(c(N(=O)=O)c1)CCO)C
• Title of publication: trans-Dichloro-bis(1-(2'-hydroxyethyl)-2-methyl-5-nitroimidazole-N3)- palladium(ii)
• Authors of publication: Maurya, M. R.; Naqvi, F.; Mata-Cardenas, B. D.; Cruz-Vega, D. E.; Garza, M. T. G.; Mayer, Thomas A.; Hursthouse, Michael B.; Coles, Simon J.; Bharti, N.; Azam, A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 99
• a: 7.1328 ± 0.0014 Å
• b: 20.699 ± 0.004 Å
• c: 7.1455 ± 0.0014 Å
• α: 90°
• β: 116.17 ± 0.03°
• γ: 90°
• Cell volume: 946.8 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No