Information card for entry 2020964

Structure parameters

• Common name: BINAP + dithio
• Chemical name: Bis(μ-naphthalene-2-thiolato-κ^2^<i>S</i>:<i>S</i>)bis(tricarbonyliron)(<i>Fe</i>—<i>Fe</i>)
• Formula: C26 H14 Fe2 O6 S2
• Calculated formula: C26 H14 Fe2 O6 S2
• Title of publication: Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands
• Authors of publication: Mebi, Charles; Gerasimchuk, Nikolay; Labrecque, Jordan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 10.1425 ± 0.0005 Å
• b: 16.1771 ± 0.0007 Å
• c: 24.5865 ± 0.0011 Å
• α: 106.98 ± 0.001°
• β: 99.453 ± 0.001°
• γ: 96.998 ± 0.001°
• Cell volume: 3743.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes