Information card for entry 2019401

Structure parameters

• Chemical name: Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-carbonato-κ^4^<i>O</i>:<i>O</i>'-tetra-μ~3~-oxido-tetracobalt(III) pentadecahydrate
• Formula: C42 H62 Co4 N8 O25
• Calculated formula: C42 H58 Co4 N8 O25
• Title of publication: A two-dimensional hydrogen-bonded water layer in the structure of a cobalt(III) cubane complex
• Authors of publication: Qi, Ji; Zhai, Xiang-Sheng; Zhu, Hong-Lin; Lin, Jian-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 198 - 201
• a: 30.712 ± 0.006 Å
• b: 16.82 ± 0.003 Å
• c: 10.588 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5469.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes