Information card for entry 7011969

Structure parameters

• Formula: C19 H23 Cl2 N Ni S4
• Calculated formula: C19 H23 Cl2 N Ni S4
• SMILES: [Ni]123(Cl)(Cl)[S]4Cc5cccc(C[S]2CCSCc2c(C[S]1CC4)cccc2)[n]35
• 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: 7.8184 ± 0.0001 Å
• b: 24.2113 ± 0.0001 Å
• c: 11.6019 ± 0.0002 Å
• α: 90°
• β: 102.306 ± 0.001°
• γ: 90°
• Cell volume: 2145.71 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.0757
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No