Information card for entry 7006074

Structure parameters

• Formula: C6 H21 Cu4.5 N31 O0.5
• Calculated formula: C6 H21 Cu4.5 N31 O0.5
• Title of publication: A three-dimensional ferromagnet based on linked copper-azido clusters.
• Authors of publication: Gu, Zhi-Guo; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 4067 - 4072
• a: 10.557 ± 0.003 Å
• b: 11.849 ± 0.003 Å
• c: 12.281 ± 0.003 Å
• α: 105.264 ± 0.004°
• β: 101.508 ± 0.004°
• γ: 105.822 ± 0.005°
• Cell volume: 1363.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No