Information card for entry 7019137

Structure parameters

• Formula: C11 H17.5 Co3 N5 O12.25 S
• Calculated formula: C11 H13 Co3 N5 O11.25 S
• Title of publication: A reversible SCSC transformation from a blue metamagnetic framework to a pink antiferromagnetic ordering layer exhibiting concomitant solvatochromic and solvatomagnetic effects.
• Authors of publication: Liu, Zhong-Yi; Yang, En-Cui; Li, Li-Ly; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6827 - 6832
• a: 29.956 ± 0.005 Å
• b: 8.0173 ± 0.0013 Å
• c: 20.629 ± 0.004 Å
• α: 90°
• β: 122.302 ± 0.005°
• γ: 90°
• Cell volume: 4187.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No