Information card for entry 4504556

Structure parameters

• Formula: C11 H11 Cl4 N3 O Pd
• Calculated formula: C11 H11 Cl4 N3 O Pd
• SMILES: [Pd](Cl)(Cl)([Cl-])[Cl-].[nH+]1cccc(c1)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: 24.1657 ± 0.0015 Å
• b: 7.9739 ± 0.0005 Å
• c: 15.2874 ± 0.001 Å
• α: 90°
• β: 92.695 ± 0.001°
• γ: 90°
• Cell volume: 2942.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No