Information card for entry 4311587

Structure parameters

• Formula: C14 H30 N2 Ni2 O2 S4
• Calculated formula: C14 H28 N2 Ni2 O2 S4
• SMILES: [O]CCC[N]12[Ni]34([S](CC1)[Ni]153[N](CC[S]41)(CCS5)CCC[O])SCC2
• 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: 14.842 ± 0.005 Å
• b: 5.9083 ± 0.001 Å
• c: 23.241 ± 0.002 Å
• α: 90°
• β: 99.07 ± 0.02°
• γ: 90°
• Cell volume: 2012.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/n 1
• Hall space group symbol: -C 2yac
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No