Information card for entry 7019138

Structure parameters

• Formula: C10 H19.25 Co3 N5 O14.125 S
• Calculated formula: C10 H17 Co3 N5 O14.13 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: 14.835 ± 0.006 Å
• b: 7.831 ± 0.003 Å
• c: 21.085 ± 0.006 Å
• α: 90°
• β: 122.317 ± 0.019°
• γ: 90°
• Cell volume: 2070.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No