Information card for entry 7061546

Structure parameters

• Formula: C23 H59 Co2 N12 O18.5 S3
• Calculated formula: C23 H59 Co2 N12 O18.5 S3
• Title of publication: Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations
• Authors of publication: Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 11404 - 11421
• a: 13.5256 ± 0.0008 Å
• b: 25.1559 ± 0.0013 Å
• c: 13.7454 ± 0.0008 Å
• α: 90°
• β: 112.588 ± 0.007°
• γ: 90°
• Cell volume: 4318.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No