Information card for entry 7002444

Structure parameters

• Formula: C13 H10 Br2 Cu2 N O7 P2 S2
• Calculated formula: C13 H10 Br2 Cu2 N O7 P2 S2
• 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: 4.7153 ± 0.0009 Å
• b: 14.432 ± 0.003 Å
• c: 17.623 ± 0.003 Å
• α: 70.972 ± 0.004°
• β: 88.635 ± 0.005°
• γ: 85.609 ± 0.004°
• Cell volume: 1130.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No