Information card for entry 2019013

Structure parameters

• Chemical name: Poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]
• Formula: C18 H28 Co N14 O2 S2
• Calculated formula: C18 H28 Co N14 O2 S2
• Title of publication: Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]
• Authors of publication: Tao, Jian-Qing; Mao, Dan; Wang, Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 597 - 600
• a: 7.7131 ± 0.0011 Å
• b: 9.26 ± 0.0013 Å
• c: 10.2716 ± 0.0015 Å
• α: 113.988 ± 0.002°
• β: 91.893 ± 0.003°
• γ: 94.895 ± 0.002°
• Cell volume: 665.97 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes