Information card for entry 1516846

Structure parameters

• Formula: C37 H32 Fe4 I O4 P
• Calculated formula: C37 H32 Fe4 I O4 P
• SMILES: [C]12(=O)[Fe]3456789%10([C]%11(=O)[Fe]%12%13%14%15%16%1718([C]1(=O)[Fe]8%18%19%20%219%11%16([C]3(=O)[Fe]39%11%162%10%171%21[cH]1[cH]3[cH]9[cH]%11[cH]%161)[cH]1[cH]8[cH]%18[cH]%19[cH]%201)[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)[c]1([cH]4[cH]5[cH]6[cH]71)[P+](C)(c1ccccc1)c1ccccc1.[I-]
• Title of publication: Synthesis and characterization of phosphonium and phosphine oxide linked to a tetrairon cluster
• Authors of publication: Huei-Fang Dai; Wen-Yann Yeh
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 50 - 54
• a: 13.4803 ± 0.0005 Å
• b: 24.6057 ± 0.0009 Å
• c: 12.4343 ± 0.0004 Å
• α: 90°
• β: 95.362 ± 0.002°
• γ: 90°
• Cell volume: 4106.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No