Information card for entry 7061542

Structure parameters

• Formula: C7 H30 Cl Co N6 O9 S
• Calculated formula: C7 H30 Cl Co N6 O9 S
• 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: 7.6522 ± 0.0005 Å
• b: 10.2432 ± 0.0006 Å
• c: 13.028 ± 0.0009 Å
• α: 76.309 ± 0.005°
• β: 85.404 ± 0.006°
• γ: 87.889 ± 0.005°
• Cell volume: 988.8 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No