Information card for entry 4103891

Structure parameters

• Formula: C38 H48 F12 Fe4 P2 Si2
• Calculated formula: C38 H46 F12 Fe4 P2 Si2
• SMILES: [CH]123[Fe]456789%10%11([c]%12([cH]4[cH]5[cH]6[cH]7%12)C)C4(C#C[Si](C)(C)C)[Fe]567%12%13%14%159([CH]1([Fe]19%16%172%104%14[c]2([cH]1[cH]9[cH]%16[cH]%172)C)[Fe]12493%11%15(C85C#C[Si](C)(C)C)[c]3([cH]1[cH]2[cH]4[cH]93)C)[c]1([cH]6[cH]7[cH]%12[cH]%131)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Redox-Responsive Recombination of Carbon-Carbon Bonds on Flexible Tetrairon Cores
• Authors of publication: Masaaki Okazaki; Masato Takano; Fumiyuki Ozawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1684 - 1685
• a: 11.366 ± 0.01 Å
• b: 11.366 ± 0.01 Å
• c: 29.309 ± 0.027 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3279 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No