Information card for entry 7048480

Structure parameters

• Formula: C49 H66 B3 F12 Fe2 N12 O4 S
• Calculated formula: C49 H66 B3 F12 Fe2 N12 O4 S
• Title of publication: Transfer of hydrosulfide from thiols to iron(ii): a convenient synthetic route to nonheme diiron(ii)-hydrosulfide complexes.
• Authors of publication: Pal, Nabhendu; Majumdar, Amit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 5903 - 5908
• a: 13.584 ± 0.004 Å
• b: 14.829 ± 0.004 Å
• c: 19.058 ± 0.005 Å
• α: 67.164 ± 0.009°
• β: 72.81 ± 0.009°
• γ: 76.576 ± 0.009°
• Cell volume: 3349.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No