Information card for entry 7117595

Structure parameters

• Formula: C9 H16 Cl Cu0.5 N O6 S2
• Calculated formula: C9 H16 Cl Cu0.5 N O6 S2
• Title of publication: Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.
• Authors of publication: Rancan, Marzio; Armelao, Lidia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 12947 - 12949
• a: 10.7197 ± 0.0007 Å
• b: 10.7197 ± 0.0007 Å
• c: 23.0839 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2297.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No