Information card for entry 4108632

Structure parameters

• Formula: C18 H15 Co3 N6 O6 S3
• Calculated formula: C18 H15 Co3 N6 O6 S3
• SMILES: [Co]1([S]([Co]([S]([Co]([S]1c1ccccc1)(N=O)N=O)c1ccccc1)(N=O)N=O)c1ccccc1)(N=O)N=O
• 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: 17.05 ± 0.003 Å
• b: 9.0194 ± 0.0015 Å
• c: 32.227 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4955.9 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No