Information card for entry 7024610

Structure parameters

• Formula: C16 H20 Cu3 N20 O6
• Calculated formula: C16 H16 Cu3 N20 O6
• Title of publication: Structures and magnetism of azide- and carboxylate-bridged metal(II) systems derived from 1,2-bis(N-carboxymethyl-4-pyridinio)ethane.
• Authors of publication: Ma, Yu; Wen, Yan-Qing; Zhang, Jian-Yong; Gao, En-Qing; Liu, Cai-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1846 - 1854
• a: 5.5021 ± 0.0001 Å
• b: 20.1449 ± 0.0006 Å
• c: 13.0034 ± 0.0003 Å
• α: 90°
• β: 92.278 ± 0.002°
• γ: 90°
• Cell volume: 1440.15 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No