Information card for entry 8105533

Structure parameters

• Formula: C11 H8 Co0.5 N7 S
• Calculated formula: C11 H8 Co0.5 N7 S
• Title of publication: Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2 N:N′)-bis(thiocyanato-κ1 N)cobalt(II), C22H16CoN14S2
• Authors of publication: Lan, Hong-Hong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 37 - 38
• a: 7.2634 ± 0.0004 Å
• b: 9.5067 ± 0.0004 Å
• c: 9.7384 ± 0.0004 Å
• α: 89.971 ± 0.003°
• β: 76.844 ± 0.004°
• γ: 67.575 ± 0.004°
• Cell volume: 602.49 ± 0.05 ų
• Cell temperature: 289.04 ± 0.1 K
• Ambient diffraction temperature: 289.04 ± 0.1 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: 0.0323
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No