Information card for entry 7002443

Structure parameters

• Formula: C4 H4 Br Cu O4 P S
• Calculated formula: C4 H4 Br Cu O4 P S
• Title of publication: Layered copper compounds based on 4-(3-bromothienyl)phosphonate (BTP): weak ferromagnetism observed in [Cu2(4,4′-bpy)0.5(BTP)2]·H2O
• Authors of publication: Guo, Li-Rong; Zhu, Feng; Chen, Yu; Li, Yi-Zhi; Zheng, Li-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8548 - 8554
• a: 13.578 ± 0.011 Å
• b: 7.587 ± 0.006 Å
• c: 7.956 ± 0.006 Å
• α: 90°
• β: 99.822 ± 0.012°
• γ: 90°
• Cell volume: 807.6 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No