Information card for entry 7035763

Structure parameters

• Formula: C27 H45 F6 Fe2 O2 P S2
• Calculated formula: C27 H45 F6 Fe2 O2 P S2
• Title of publication: Synthesis of carboxylate-bridged iron-thiolate clusters from alcohols/aldehydes or carboxylate salts.
• Authors of publication: Dong, Xiaoliang; Liu, Litao; Zhou, Yuhan; Liu, Jun; Zhang, Yixin; Chen, Yanhui; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14952 - 14958
• a: 13.0082 ± 0.0004 Å
• b: 13.0082 ± 0.0004 Å
• c: 38.517 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6517.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No