Information card for entry 2232492

Structure parameters

• Chemical name: [1,2-Bis(diphenylphosphanyl)ethane-2κ^2^<i>P</i>,<i>P</i>']tetracarbonyl- 1κ^3^<i>C</i>,2κ<i>C</i>-(μ-3-cyclopentyl-2-azapropane-1,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')diiron(II)(<i>Fe</i>—<i>Fe</i>)
• Formula: C37 H37 Fe2 N O4 P2 S2
• Calculated formula: C37 H37 Fe2 N O4 P2 S2
• SMILES: [Fe]123([Fe]4([S]1CN(C[S]24)C1CCCC1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)CC[P]3(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: [1,2-Bis(diphenylphosphanyl)ethane-2κ^2^<i>P</i>,<i>P</i>']tetracarbonyl-1κ^3^<i>C</i>,2κ<i>C</i>-(μ-2-cyclopentyl-2-azapropane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')diiron(II)(<i>Fe</i>—<i>Fe</i>)
• Authors of publication: Si, Youtao; Chen, Hui; Chen, ChangNeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1500 - m1501
• a: 11.763 ± 0.01 Å
• b: 12.402 ± 0.012 Å
• c: 13.284 ± 0.013 Å
• α: 84.66 ± 0.03°
• β: 78.19 ± 0.03°
• γ: 76.33 ± 0.03°
• Cell volume: 1841 ± 3 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes