Information card for entry 7022455

Structure parameters

• Formula: C64 H75 Cl Gd2 N4 Ni2 O26
• Calculated formula: C64 H53 Cl Gd2 N4 Ni2 O26
• Title of publication: Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2].
• Authors of publication: Yu, Wan-Rong; Lee, Gene-Hsian; Yang, En-Che
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3941 - 3949
• a: 21.2334 ± 0.001 Å
• b: 23.9758 ± 0.0011 Å
• c: 17.5937 ± 0.0008 Å
• α: 90°
• β: 121.341 ± 0.0009°
• γ: 90°
• Cell volume: 7649.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No