Information card for entry 8105534

Structure parameters

• Formula: C38 H24 Co N14 S5
• Calculated formula: C38 H24 Co N14 S5
• Title of publication: Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2 N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1 N)-bis(thiocyanato-κ1 N)cobalt(II)], C38H24CoN14S5
• Authors of publication: Sun, Xiao-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 39 - 40
• a: 10.6306 ± 0.0006 Å
• b: 13.1604 ± 0.0005 Å
• c: 15.1858 ± 0.0007 Å
• α: 81.039 ± 0.004°
• β: 82.393 ± 0.004°
• γ: 66.803 ± 0.004°
• Cell volume: 1923.04 ± 0.17 ų
• Cell temperature: 291.6 ± 0.7 K
• Ambient diffraction temperature: 291.6 ± 0.7 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No