Information card for entry 7232203

Structure parameters

• Common name: NG18_LT
• Formula: C14 H14 Fe K O S4
• Calculated formula: C14 H14 Fe K O S4
• Title of publication: Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations
• Authors of publication: Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1423
• a: 7.5364 ± 0.0007 Å
• b: 9.164 ± 0.0009 Å
• c: 24.2084 ± 0.0018 Å
• α: 90°
• β: 91.334 ± 0.004°
• γ: 90°
• Cell volume: 1671.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No