Information card for entry 1560461

Structure parameters

• Formula: C36 H36 N4 Ni2 O15 S
• Calculated formula: C36 H36 N4 Ni2 O15 S
• Title of publication: Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand
• Authors of publication: Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 250
• Pages of publication: 6 - 13
• a: 11.2036 ± 0.0005 Å
• b: 11.2036 ± 0.0005 Å
• c: 29.896 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3752.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No