Information card for entry 8100884

Structure parameters

• Formula: C72 H86 Cl F12 Fe N2 O5 P4
• Calculated formula: C72 H68 Cl F12 Fe N2 O5 P4
• Title of publication: Crystal structure of chloro{2,2'-[(R,R)-cyclohexane-1,2-diylbis (nitrilomethylidyne)]-bis[6-tert-butyl-4-(triphenylphosphoniomethyl) phenolato]-O,N,N',O'}-iron(III) bis(hexafluorophosphate) tris(ethanol) solvate, [Fe(C~66~H~68~N~2~O~2~P~2~)Cl](PF~6~)~2~ · 3C~2~H~6~O
• Authors of publication: Pajunen, A.; Mutikainen, I.; Haikarainen, A.; Sipilä, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 147 - 150
• a: 14.094 ± 0.009 Å
• b: 21.592 ± 0.012 Å
• c: 13.66 ± 0.007 Å
• α: 107.52 ± 0.04°
• β: 101.97 ± 0.05°
• γ: 80.8 ± 0.05°
• Cell volume: 3857 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No