Information card for entry 7061784

Structure parameters

• Formula: C37 H46 Cu2 N4 O12 Si2
• Calculated formula: C37 H46 Cu2 N4 O12 Si2
• SMILES: [Cu]12345[Cu]([O]=C(O1)C)(OC(=[O]4)C)([O]=C(O3)C)(OC(=[O]2)C)[n]1c(NC(=O)c2ccc([Si](O[Si](c3ccc(C(=O)Nc4[n]5cccc4)cc3)(C)C)(C)C)cc2)cccc1.OC
• Title of publication: Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group
• Authors of publication: Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 18041 - 18047
• a: 12.4163 ± 0.0003 Å
• b: 13.6044 ± 0.0003 Å
• c: 14.8077 ± 0.0003 Å
• α: 104.238 ± 0.001°
• β: 108.816 ± 0.001°
• γ: 106.864 ± 0.001°
• Cell volume: 2100.61 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0739
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No