Information card for entry 7031884

Structure parameters

• Formula: C0.5 H8.5 Cl Cu N2.5 O6
• Calculated formula: C0.5 H7.5 Cl Cu N2.5 O6
• Title of publication: A magnetically isolated cuprate spin-ladder system: synthesis, structures, and magnetic properties.
• Authors of publication: Zhang, Xiao; Nishihara, Sadafumi; Nakano, Yuki; Yoshida, Erina; Kato, Chisato; Ren, Xiao-Ming; Maryunina, Kseniya Yu; Inoue, Katsuya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12974
• a: 9.8063 ± 0.0006 Å
• b: 15.1247 ± 0.0009 Å
• c: 9.8609 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.54 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031702
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No