Information card for entry 7025959

Structure parameters

• Formula: C90 H76 Cu6 N16 O22 S2
• Calculated formula: C90 H72 Cu6 N16 O22 S2
• Title of publication: Polynuclear complexes of macrocyclic oxamide with 5-sulfosalicylate: syntheses, crystal structures and magnetic properties.
• Authors of publication: Sun, Ya-Qiu; Fan, Lan-Lan; Gao, Dong-Zhao; Wang, Qing-Lun; Du, Miao; Liao, Dai-Zheng; Zhang, Chen-Xi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9654 - 9661
• a: 12.7031 ± 0.0014 Å
• b: 12.7099 ± 0.0014 Å
• c: 14.5477 ± 0.0016 Å
• α: 88.314 ± 0.002°
• β: 67.466 ± 0.002°
• γ: 83.157 ± 0.002°
• Cell volume: 2153.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No