Information card for entry 2019554

Structure parameters

• Chemical name: Caesium bis{[2-(3-ethoxy-2-oxidobenzylidene)hydrazin-1-ylidene](methylamino)methanethiolato-κ^2^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>}ferrate(III) methanol monosolvate
• Formula: C23 H30 Cs Fe N6 O5 S2
• Calculated formula: C23 H30 Cs Fe N6 O5 S2
• Title of publication: Fe^III^ in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2‒)-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>]ferrate(III) methanol monosolvate
• Authors of publication: Powell, Robyn E.; Schwalbe, Carl H.; Tizzard, Graham J.; van Koningsbruggen, Petra J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 595 - 598
• a: 8.486 ± 0.003 Å
• b: 9.078 ± 0.003 Å
• c: 19.875 ± 0.007 Å
• α: 100.629 ± 0.005°
• β: 91.549 ± 0.005°
• γ: 113.674 ± 0.005°
• Cell volume: 1369.5 ± 0.8 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: 0.0761
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes