Information card for entry 7007378

Structure parameters

• Formula: C16 H14 N4 Ni O6 S4
• Calculated formula: C16 H14 N4 Ni O6 S4
• SMILES: C1(=O)C(=O)S[Ni]2(SC(=O)C(=O)S2)S1.c1cc(c[nH+]c1)/C=N/O.c1ccc(c[nH+]1)/C=N/O
• 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: 17.656 ± 0.002 Å
• b: 10.0009 ± 0.0014 Å
• c: 13.363 ± 0.0018 Å
• α: 90°
• β: 118.784 ± 0.002°
• γ: 90°
• Cell volume: 2068 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No