Information card for entry 1545284

Structure parameters

• Chemical name: Bis( 2-1,3-diethyl-2-thiobarbiturato O,O')-bis(1,3-diethyl-2-thiobarbiturato O)- tetra(butan-1-ol)-di-cobalt(II)
• Formula: C48 H84 Co2 N8 O12 S4
• Calculated formula: C48 H84 Co2 N8 O12 S4
• Title of publication: Structure of Tetrakis((1,3-Diethyl-2-Thiobarbiturato)(Butanol-1))dicobalt(II)
• Authors of publication: N.N. Golovnev; M.S. Molokeev; A.I. Smolentsev; M.K. Lesnikov
• Journal of publication: Russian Journal of Coordination Chemistry
• Year of publication: 2017
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 82 - 85
• a: 10.7185 ± 0.0005 Å
• b: 21.9851 ± 0.0011 Å
• c: 12.7235 ± 0.0007 Å
• α: 90°
• β: 92.196 ± 0.002°
• γ: 90°
• Cell volume: 2996.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1061
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No