Information card for entry 7704675

Structure parameters

• Formula: C22 H26 Fe2 Mo0 O4 P2 S4
• Calculated formula: C22 H26 Fe2 O4 P2 S4
• Title of publication: Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.
• Authors of publication: Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 9048 - 9056
• a: 9.5169 ± 0.0014 Å
• b: 13.927 ± 0.0019 Å
• c: 10.861 ± 0.0016 Å
• α: 90°
• β: 110.696 ± 0.003°
• γ: 90°
• Cell volume: 1346.6 ± 0.3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No