Information card for entry 2239648

Structure parameters

• Chemical name: <i>trans</i>-Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(methanol-κ<i>O</i>)iron(II) bis(perchlorate)
• Formula: C26 H24 Cl2 Fe N8 O10 S2
• Calculated formula: C26 H24 Cl2 Fe N8 O10 S2
• SMILES: [Fe]12([n]3c(c4cccc[n]14)sc(c1ccccn1)n3)([n]1ccccc1c1[n]2nc(c2ccccn2)s1)([OH]C)[OH]C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: <i>trans</i>-Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(methanol-κ<i>O</i>)iron(II) bis(perchlorate)
• Authors of publication: Kaase, Dominic; Klingele, Julia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m252 - m253
• a: 8.841 ± 0.0003 Å
• b: 9.5579 ± 0.0004 Å
• c: 9.5875 ± 0.0004 Å
• α: 87.169 ± 0.002°
• β: 88.945 ± 0.002°
• γ: 74.735 ± 0.002°
• Cell volume: 780.61 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes