Information card for entry 7008399

Structure parameters

• Formula: C12 H22 Ni O7 S2
• Calculated formula: C12 H22 Ni O7 S2
• SMILES: C1(=C(C)O[Ni]23([OH2])([S]1CC[S]3C(=C(C)O2)C(=O)C)[OH2])C(=O)C.O
• Title of publication: Interaction of cobalt(II) and nickel(II) with a gamma-linked, bis-beta-diketone ligand to yield an unusual coordination motif.
• Authors of publication: Zheng, Bai-Shu; Zhang, Xiao-Yi; Zhu, Huai-Wu; Luo, Shi-Xia; Lindoy, Leonard F.; McMurtrie, John C.; Turner, Peter; Wei, Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1349 - 1351
• a: 16.236 ± 0.003 Å
• b: 14.445 ± 0.003 Å
• c: 7.4624 ± 0.0014 Å
• α: 90°
• β: 101.493 ± 0.003°
• γ: 90°
• Cell volume: 1715.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No