Information card for entry 4504552

Structure parameters

• Formula: C11 H11 Cl4 N3 O Pd
• Calculated formula: C11 H11 Cl4 N3 O Pd
• SMILES: [Pd](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)NC(=O)c1cc[nH+]cc1
• Title of publication: N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates
• Authors of publication: Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 216
• a: 7.091 ± 0.003 Å
• b: 8.158 ± 0.004 Å
• c: 13.722 ± 0.007 Å
• α: 102.422 ± 0.008°
• β: 95.689 ± 0.009°
• γ: 106.505 ± 0.009°
• Cell volume: 732.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No