Information card for entry 8104858

Structure parameters

• Formula: C16 H48 Br5 Cu4 Gd O8 S12 W
• Calculated formula: C16 H48 Br5 Cu4 Gd O8 S12 W
• Title of publication: Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1 O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
• Authors of publication: Ye, Yunfeng; Tang, Guodong; Qian, Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 455 - 457
• a: 11.576 ± 0.002 Å
• b: 12.407 ± 0.003 Å
• c: 17.582 ± 0.003 Å
• α: 90°
• β: 100.76 ± 0.03°
• γ: 90°
• Cell volume: 2480.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No