Information card for entry 4347386

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: 7.6724 ± 0.0004 Å
• b: 13.749 ± 0.0005 Å
• c: 8.71 ± 0.0004 Å
• α: 90°
• β: 107.531 ± 0.003°
• γ: 90°
• Cell volume: 876.12 ± 0.07 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: 0.0334
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No