Information card for entry 4347385

Structure parameters

• Formula: C9 H18 Cu2 N4 O12 S
• Calculated formula: C9 H18 Cu2 N4 O12 S
• Title of publication: Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.
• Authors of publication: Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2664 - 2671
• a: 7.6789 ± 0.0002 Å
• b: 13.7771 ± 0.0004 Å
• c: 8.708 ± 0.0003 Å
• α: 90°
• β: 107.606 ± 0.003°
• γ: 90°
• Cell volume: 878.09 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No