Information card for entry 7025958

Structure parameters

• Formula: C92 H78 Cu4 Gd2 N16 O28 S2
• Calculated formula: C92 H76 Cu4 Gd2 N16 O27 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: 12.6013 ± 0.0003 Å
• b: 12.6027 ± 0.0003 Å
• c: 16.681 ± 0.0007 Å
• α: 98 ± 0.001°
• β: 103.079 ± 0.001°
• γ: 110.12 ± 0°
• Cell volume: 2353.73 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No