Information card for entry 4512925

Structure parameters

• Formula: C10 H14 B2 Cl4 N2 O4 Pd
• Calculated formula: C10 H14 B2 Cl4 N2 O4 Pd
• SMILES: B(c1ccc[nH+]c1)(O)O.Cl[Pd](Cl)([Cl-])[Cl-].B(c1ccc[nH+]c1)(O)O
• Title of publication: Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks
• Authors of publication: Yahsi, Yasemin; Gungor, Elif; Kara, Hulya
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2652
• a: 6.926 ± 0.0014 Å
• b: 7.9568 ± 0.0016 Å
• c: 8.297 ± 0.0017 Å
• α: 70.25 ± 0.03°
• β: 79.53 ± 0.03°
• γ: 83.22 ± 0.03°
• Cell volume: 422.38 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No