Information card for entry 4338231

Structure parameters

• Formula: C114 H120 Fe4 N O2.5 P2 S15
• Calculated formula: C114 H120 Fe4 N O2.5 P2 S15
• 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: 14.2454 ± 0.001 Å
• b: 16.7845 ± 0.0011 Å
• c: 26.5044 ± 0.0018 Å
• α: 87.421 ± 0.001°
• β: 76.728 ± 0.001°
• γ: 69.444 ± 0.001°
• Cell volume: 5770.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No