Information card for entry 2009698

Structure parameters

• Formula: C6 H12 Cl3 Fe S3
• Calculated formula: C6 H12 Cl3 Fe S3
• Title of publication: Trichloro(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')iron(III), [FeCl~3~(C~6~H~12~S~3~)]
• Authors of publication: Ballester, Joanne; Parker, O. Jerry; Breneman, Gary L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 712 - 714
• a: 17.352 ± 0.002 Å
• b: 17.352 ± 0.002 Å
• c: 16.522 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4974.6 ± 1.2 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: I 41 c d
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No