Information card for entry 7208490

Structure parameters

• Formula: C30 H24 Co N6 S4
• Calculated formula: C30 H24 Co N6 S4
• SMILES: [Co](N=C=S)(N=C=S)(N=C=S)N=C=S.C(=C\c1ccccc1)/c1cc[nH+]cc1.C(=C\c1cc[nH+]cc1)/c1ccccc1
• Title of publication: Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies
• Authors of publication: Briceño, Alexander; Hill, Yennifer
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6121
• a: 14.545 ± 0.003 Å
• b: 13.784 ± 0.003 Å
• c: 16.111 ± 0.003 Å
• α: 90°
• β: 101.06 ± 0.03°
• γ: 90°
• Cell volume: 3170.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1881
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No