Information card for entry 7048481

Structure parameters

• Formula: C55 H77 B2 Cl F8 Fe2 N14 O5
• Calculated formula: C55 H77 B2 Cl F8 Fe2 N14 O5
• 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: 12.253 ± 0.003 Å
• b: 15.368 ± 0.004 Å
• c: 18.42 ± 0.005 Å
• α: 102.748 ± 0.008°
• β: 96.655 ± 0.007°
• γ: 98.924 ± 0.007°
• Cell volume: 3301.3 ± 1.5 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: 0.1737
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.2707
• Weighted residual factors for all reflections included in the refinement: 0.3187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No