Information card for entry 7007382

Structure parameters

• Formula: C16 H28 N2 Ni O10 S4
• Calculated formula: C16 H28 N2 Ni O10 S4
• SMILES: C1[NH2+]CC(CC1)C(=O)O.O.S1[Ni]2(SC(=O)C(=O)S2)SC(=O)C1=O.C1CCC(C[NH2+]1)C(=O)O.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: 6.1262 ± 0.0009 Å
• b: 8.4035 ± 0.0013 Å
• c: 12.7833 ± 0.0019 Å
• α: 104.596 ± 0.002°
• β: 95.445 ± 0.002°
• γ: 106.733 ± 0.002°
• Cell volume: 599.86 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No