Information card for entry 7007366

Structure parameters

• Formula: C14 H10 N2 Ni O4 S4
• Calculated formula: C14 H10 N2 Ni O4 S4
• SMILES: c1[nH+]ccc(c1)c1cc[nH+]cc1.[Ni]12(SC(=O)C(=O)S1)SC(=O)C(=O)S2
• Title of publication: Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.
• Authors of publication: Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4078 - 4092
• a: 7.0246 ± 0.0007 Å
• b: 8.1058 ± 0.0007 Å
• c: 8.3198 ± 0.0008 Å
• α: 76.768 ± 0.002°
• β: 68.567 ± 0.002°
• γ: 64.856 ± 0.001°
• Cell volume: 397.66 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.688 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No