Information card for entry 1571777

Structure parameters

• Chemical name: Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]
• Formula: C22.5 H23.5 Co N4.5 O6.5 S
• Calculated formula: C22.5 H23.5 Co N4.5 O6.5 S
• Title of publication: Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]
• Authors of publication: Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 6
• Pages of publication: x240489
• a: 11.2451 ± 0.0014 Å
• b: 14.4734 ± 0.0017 Å
• c: 15.232 ± 0.002 Å
• α: 90°
• β: 103.485 ± 0.004°
• γ: 90°
• Cell volume: 2410.7 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No