Information card for entry 4345042

Structure parameters

• Formula: C81 H102 Co3 K6 N12 O21 S9
• Calculated formula: C81 H102 Co3 K6 N12 O21 S9
• Title of publication: Modulating the Primary and Secondary Coordination Spheres within a Series of Co(II)-OH Complexes.
• Authors of publication: Jones, Jason R.; Ziller, Joseph W.; Borovik, A. S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1112 - 1120
• a: 19.4569 ± 0.0014 Å
• b: 32.796 ± 0.002 Å
• c: 18.3948 ± 0.0013 Å
• α: 90°
• β: 111.204 ± 0.0009°
• γ: 90°
• Cell volume: 10943.2 ± 1.3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No