Information card for entry 7201699

Structure parameters

• Formula: C11 H15 Fe2 O8 P S2
• Calculated formula: C11 H15 Fe2 O8 P S2
• Title of publication: Supramolecular self-assembly of a [2Fe2S] complex with a hydrophilic phosphine ligand
• Authors of publication: Li, Ping; Wang, Mei; Chen, Lin; Wang, Ning; Zhang, Tingting; Sun, Licheng
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 267
• a: 8.926 ± 0.007 Å
• b: 16.448 ± 0.013 Å
• c: 12.652 ± 0.01 Å
• α: 90°
• β: 97.353 ± 0.009°
• γ: 90°
• Cell volume: 1842 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No