Information card for entry 7061547

Structure parameters

• Formula: C168 H438 Cl Co19 N90 O180
• Calculated formula: C168 H348 Cl1.0002 Co19 N89.9996 O180
• 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: 28.3469 ± 0.0003 Å
• b: 28.3469 ± 0.0003 Å
• c: 34.2636 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23843.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No