Information card for entry 7202671

Structure parameters

• Formula: C22 H32 Br4 N2 O4 Pd
• Calculated formula: C22 H32 Br4 N2 O4 Pd
• Title of publication: Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts
• Authors of publication: Neve, Francesco; Crispini, Alessandra
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 698
• a: 8.6677 ± 0.0007 Å
• b: 13.1873 ± 0.0011 Å
• c: 12.1442 ± 0.001 Å
• α: 90°
• β: 93.983 ± 0.002°
• γ: 90°
• Cell volume: 1384.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0251
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No