Information card for entry 7061548

Structure parameters

• Formula: C8 H29 Cl2 Co N6 O7
• Calculated formula: C8 H23 Cl2 Co N6 O4
• 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: 12.7503 ± 0.0003 Å
• b: 6.96314 ± 0.00016 Å
• c: 22.1399 ± 0.0005 Å
• α: 90°
• β: 91.18 ± 0.002°
• γ: 90°
• Cell volume: 1965.21 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No