Information card for entry 7220597

Structure parameters

• Formula: C6 H6 Co0.5 N5 O5 S
• Calculated formula: C6 H6 Co0.5 N5 O5 S
• Title of publication: Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand
• Authors of publication: Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5054
• a: 6.7656 ± 0.0006 Å
• b: 8.7886 ± 0.0007 Å
• c: 10.0635 ± 0.0008 Å
• α: 64.603 ± 0.005°
• β: 76.394 ± 0.005°
• γ: 82.581 ± 0.005°
• Cell volume: 525.11 ± 0.08 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: 0.0528
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No