Information card for entry 4512924

Structure parameters

• Formula: C5 H9 B Cl3 Cu N O3
• Calculated formula: C5 H9 B Cl3 Cu N O3
• SMILES: [Cu](Cl)(Cl)(Cl)[OH2].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: 13.863 ± 0.003 Å
• b: 3.7921 ± 0.0008 Å
• c: 20.094 ± 0.004 Å
• α: 90°
• β: 97.46 ± 0.03°
• γ: 90°
• Cell volume: 1047.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No