Information card for entry 7112694

Structure parameters

• Formula: C95 H84 B2 Cl6 F48 Fe4 O8 P4 S6
• Calculated formula: C92 H78 B2 F48 Fe4 O8 P4 S6
• Title of publication: Stereochemistry of electrophilic attack at 34e^-^ dimetallic complexes: the case of diiron dithiolato carbonyls + MeS^+^
• Authors of publication: Olsen, Matthew T.; Gray, Danielle L.; Rauchfuss, Thomas B.; Gioia, Luca De; Zampella, Giuseppe
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 6554 - 6556
• a: 17.3263 ± 0.0015 Å
• b: 18.5078 ± 0.0016 Å
• c: 20.1683 ± 0.0018 Å
• α: 105.661 ± 0.005°
• β: 91.642 ± 0.005°
• γ: 99.204 ± 0.005°
• Cell volume: 6129.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7106491
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No