Information card for entry 4503736

Structure parameters

• Formula: C4 H24 Br2 Cu4 Gd4 N2 O30 S8
• Calculated formula: C4 H12 Br2 Cu4 Gd4 N2 O30 S8
• Title of publication: New Organically Templated Ln(III)−Cu(I) Heteronuclear Sulfite Bromides
• Authors of publication: Li, Pei-Xin; Mao, Jiang-Gao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3385
• a: 6.7475 ± 0.0003 Å
• b: 8.4853 ± 0.0005 Å
• c: 15.9762 ± 0.0017 Å
• α: 87.821 ± 0.014°
• β: 83.765 ± 0.014°
• γ: 73.704 ± 0.01°
• Cell volume: 872.74 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No