Information card for entry 7049333

Structure parameters

• Formula: C52 H40 Cl8 Ni O4 P2 S4 Sn2
• Calculated formula: C52 H40 Cl8 Ni O4 P2 S4 Sn2
• 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: 7.5323 ± 0.0004 Å
• b: 21.6051 ± 0.0013 Å
• c: 17.9843 ± 0.001 Å
• α: 90°
• β: 90.339 ± 0.002°
• γ: 90°
• Cell volume: 2926.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.042
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No