Information card for entry 4311588

Structure parameters

• Formula: C28 H60 N4 O4 S8 Zn4
• Calculated formula: C28 H60 N4 O4 S8 Zn4
• SMILES: [Zn]123[S]4[Zn]5([S]6[Zn]7([S]8[Zn]9([S]2CC[N]3(CCS1)CCCO)SCC[N]9(CC8)CCCO)SCC[N]7(CC6)CCCO)SCC[N]5(CC4)CCCO
• Title of publication: An Unsymmetrical Tripodal Ligand with NOS2-Donor Set: Coordination Chemistry with Nickel(II) and Zinc(II)
• Authors of publication: F. Ekkehardt Hahn; Christian Ochs; Thomas Lügger; Roland Fröhlich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6101 - 6107
• a: 14.594 ± 0.001 Å
• b: 12.531 ± 0.001 Å
• c: 23.022 ± 0.001 Å
• α: 90°
• β: 104.31 ± 0.01°
• γ: 90°
• Cell volume: 4079.6 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No