Information card for entry 4338234

Structure parameters

• Common name: Trityl disulfide
• Formula: C38 H30 S2
• Calculated formula: C38 H30 S2
• SMILES: S(C(c1ccccc1)(c1ccccc1)c1ccccc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).
• Authors of publication: Victor, Eric; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5311 - 5320
• a: 13.8744 ± 0.0015 Å
• b: 12.0428 ± 0.0013 Å
• c: 17.2348 ± 0.0019 Å
• α: 90°
• β: 103.484 ± 0.002°
• γ: 90°
• Cell volume: 2800.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No