Information card for entry 7048482

Structure parameters

• Formula: C55 H78 B2 F8 Fe2 N14 O5 S
• Calculated formula: C55 H78 B2 F8 Fe2 N14 O5 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: 12.226 ± 0.002 Å
• b: 15.384 ± 0.003 Å
• c: 18.398 ± 0.003 Å
• α: 102.922 ± 0.005°
• β: 96.739 ± 0.005°
• γ: 98.616 ± 0.006°
• Cell volume: 3293.6 ± 1 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: 0.1296
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2338
• 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