Information card for entry 4311137

Structure parameters

• Formula: C10 H24 Br4 Cu N2
• Calculated formula: C10 H24 Br4 Cu N2
• SMILES: [Cu](Br)(Br)([Br-])[Br-].[NH3+]C1CCCC1.[NH3+]C1CCCC1
• Title of publication: Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4
• Authors of publication: Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3804 - 3811
• a: 12.09 ± 0.006 Å
• b: 8.13 ± 0.004 Å
• c: 18.685 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.6 ± 1.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No