Information card for entry 4108631

Structure parameters

• Formula: C20 H30 Co N3 O2 S2
• Calculated formula: C20 H30 Co N3 O2 S2
• SMILES: [Co](Sc1ccccc1)(Sc1ccccc1)(N=O)N=O.[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands
• Authors of publication: Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15087 - 15098
• a: 13.4199 ± 0.0017 Å
• b: 16.051 ± 0.002 Å
• c: 11.0093 ± 0.0014 Å
• α: 90°
• β: 108.937 ± 0.002°
• γ: 90°
• Cell volume: 2243.1 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No