Information card for entry 7007379

Structure parameters

• Formula: C14 H22 N2 Ni O4 S4
• Calculated formula: C14 H22 N2 Ni O4 S4
• SMILES: C1[NH2+]CCC(C1)C1CC[NH2+]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: 7.6921 ± 0.0004 Å
• b: 7.7277 ± 0.0004 Å
• c: 8.6131 ± 0.0004 Å
• α: 100.562 ± 0.003°
• β: 99.931 ± 0.003°
• γ: 103.836 ± 0.003°
• Cell volume: 475.99 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No