Information card for entry 7045147

Structure parameters

• Formula: C18 H24 Mg N2 O16 S2
• Calculated formula: C18 H24 Mg N2 O16 S2
• Title of publication: Coordination-driven fast self-assembly of a charge-transfer hydrogel with reversible photochromism.
• Authors of publication: Liao, Jian-Zhen; Wang, Sa-Sa; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong; Chen, Xu-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1027 - 1031
• a: 8.1898 ± 0.0005 Å
• b: 8.9388 ± 0.0006 Å
• c: 16.7878 ± 0.001 Å
• α: 87.381 ± 0.005°
• β: 80.708 ± 0.005°
• γ: 83.888 ± 0.005°
• Cell volume: 1205.45 ± 0.13 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0411
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No