Information card for entry 7040748

Structure parameters

• Formula: C12 H16 Co N2 S2
• Calculated formula: C12 H16 Co N2 S2
• SMILES: [Co](Sc1ccccc1)(Sc1ccccc1)([NH3])[NH3]
• Title of publication: Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].
• Authors of publication: Eichhöfer, Andreas; Buth, Gernot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17382 - 17391
• a: 6.8884 ± 0.0004 Å
• b: 6.9907 ± 0.0004 Å
• c: 14.6692 ± 0.001 Å
• α: 98.926 ± 0.005°
• β: 95.975 ± 0.005°
• γ: 92.474 ± 0.005°
• Cell volume: 692.78 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No