Information card for entry 4328707

Structure parameters

• Formula: C15 H5 F12 N4 Ni O4 S2
• Calculated formula: C15 H5 F12 N4 Ni O4 S2
• Title of publication: Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA
• Authors of publication: Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3827 - 3839
• a: 9.6479 ± 0.0008 Å
• b: 9.9657 ± 0.0009 Å
• c: 12.3761 ± 0.0009 Å
• α: 107.848 ± 0.005°
• β: 100.353 ± 0.005°
• γ: 100.592 ± 0.004°
• Cell volume: 1077.36 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No