Information card for entry 7206317

Structure parameters

• Formula: C14 H20 Fe N5 O7 S4
• Calculated formula: C14 H20 Fe N5 O7 S4
• Title of publication: The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering
• Authors of publication: Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5082
• a: 13.464 ± 0.003 Å
• b: 12.053 ± 0.002 Å
• c: 14.304 ± 0.003 Å
• α: 90°
• β: 95.68 ± 0.03°
• γ: 90°
• Cell volume: 2309.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No