Information card for entry 7049331

Structure parameters

• Formula: C42 H44 B4 Cl4 Gd2 N24 Ni O4 S4
• Calculated formula: C42 H44 B4 Cl4 Gd2 N24 Ni O4 S4
• Title of publication: Molecular and electronic structure of the dithiooxalato radical ligand stabilised by rare earth coordination.
• Authors of publication: McGuire, Jake; Wilson, Bradley; McAllister, James; Miras, Haralampos N.; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5491 - 5495
• a: 7.7538 ± 0.0016 Å
• b: 11.475 ± 0.002 Å
• c: 17.902 ± 0.004 Å
• α: 79.546 ± 0.003°
• β: 86.774 ± 0.003°
• γ: 72.601 ± 0.003°
• Cell volume: 1494.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0633
• 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: No
• Has Fobs: No