Information card for entry 4300402

Structure parameters

• Formula: C18 H26 Cl2 N2 O8 S4 Zn
• Calculated formula: C18 H26 Cl2 N2 O8 S4 Zn
• SMILES: [Zn]1234([S](C)Cc5[n]3c(ccc5)C[S]1C)[S](C)Cc1[n]4c(ccc1)C[S]2C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy
• Authors of publication: Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 571 - 581
• a: 11.982 ± 0.006 Å
• b: 11.667 ± 0.006 Å
• c: 19.559 ± 0.011 Å
• α: 90°
• β: 103.672 ± 0.009°
• γ: 90°
• Cell volume: 2657 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No