Information card for entry 4513360

Structure parameters

• Formula: C22 H32 Cu6 N12 O2 S6
• Calculated formula: C22 H32 Cu6 N12 O2 S6
• Title of publication: Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains
• Authors of publication: Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3939
• a: 10.1247 ± 0.0003 Å
• b: 10.3908 ± 0.0003 Å
• c: 10.4233 ± 0.0006 Å
• α: 96.318 ± 0.002°
• β: 102.64 ± 0.002°
• γ: 115.983 ± 0.001°
• Cell volume: 934.96 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0322
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No