Information card for entry 7702535

Structure parameters

• Formula: C44 H88 Cl4 Cu6 N12 O36
• Calculated formula: C44 H72 Cl4 Cu6 N12 O36
• Title of publication: A new one-dimensional coordination polymer and a new supramolecular dimer made of trinuclear copper(II) complexes: crystal structure and magnetic properties
• Authors of publication: Gao, En-Qing; Zhao, Qi-Hua; Tang, Jin-Kui; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1537
• a: 20.2579 ± 0.0013 Å
• b: 17.141 ± 0.0011 Å
• c: 22.1609 ± 0.0014 Å
• α: 90°
• β: 102.613 ± 0.001°
• γ: 90°
• Cell volume: 7509.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0828
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No