Information card for entry 7243166

Structure parameters

• Formula: C4 H12 Cl2 Cu O2 S2
• Calculated formula: C4 H12 Cl2 Cu O2 S2
• Title of publication: Crystal engineering with copper and melamine
• Authors of publication: Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 39
• Pages of publication: 23943 - 23947
• a: 7.9376 ± 0.0003 Å
• b: 11.4925 ± 0.0004 Å
• c: 11.3612 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1036.4 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No