Information card for entry 7244606

Structure parameters

• Formula: C50 H42 Cl6 O8 Sb4
• Calculated formula: C50 H42 Cl6 O8 Sb4
• SMILES: [Sb]123(O[Sb]45(O[Sb]67(O[Sb]([O]2[O]46)(O1)([O]7[O]35)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding
• Authors of publication: Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 22.9804 ± 0.0002 Å
• b: 13.6482 ± 0.0001 Å
• c: 35.9388 ± 0.0003 Å
• α: 90°
• β: 112.539 ± 0.001°
• γ: 90°
• Cell volume: 10410.9 ± 0.17 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No