Information card for entry 7011970

Structure parameters

• Formula: C19 H23 N S4
• Calculated formula: C19 H23 N S4
• SMILES: C1SCCSCc2ccccc2CSCCSCc2cccc1n2
• Title of publication: A new NS4 quinquedentate macrocyclic ligand: synthesis, structure and properties of its Ni(ii), Pd(ii), Pt(ii), Cu(ii), Cu(i) and Ag(i) complexesPresented at ISMC-2001 held in Fukuoka, Japan from July 15‒20, 2001.Electronic supplementary information (ESI) available: synthetic scheme for macrocyclic complexes 12‒17; views of 12, 15 and 16; cyclic voltammograms of 13 and 14. See http://www.rsc.org/suppdata/dt/b2/b206182a/
• Authors of publication: Vetrichelvan, Muthalagu; Lai, Yee-Hing; Fun Mok, Kum
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 295
• a: 18.2741 ± 0.0007 Å
• b: 4.7815 ± 0.0002 Å
• c: 22.8791 ± 0.0009 Å
• α: 90°
• β: 97.884 ± 0.001°
• γ: 90°
• Cell volume: 1980.22 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.1012
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No