Information card for entry 2230717

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]cobalt(II) bis(tetrafluoridoborate)
• Formula: C24 H20 B2 Co F8 N8 O2 S2
• Calculated formula: C24 H20 B2 Co F8 N8 O2 S2
• SMILES: [B](F)(F)(F)[F-].c12c3cccc[n]3[Co]3([n]2nc(s1)c1ccccn1)([n]1c(c2[n]3nc(c3ccccn3)s2)cccc1)([OH2])[OH2].[B](F)(F)(F)[F-]
• Title of publication: <i>trans</i>-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]cobalt(II) bis(tetrafluoridoborate)
• Authors of publication: Bentiss, Fouad; Capet, Frédéric; Lagrenée, Michel; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m834 - m835
• a: 10.8319 ± 0.0002 Å
• b: 11.0623 ± 0.0002 Å
• c: 13.212 ± 0.0003 Å
• α: 90°
• β: 101.114 ± 0.001°
• γ: 90°
• Cell volume: 1553.45 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes