Information card for entry 2011679

Structure parameters

• Chemical name: Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]
• Formula: C24 H36 Fe N2 O4 P2 S4
• Calculated formula: C24 H36 Fe N2 O4 P2 S4
• SMILES: [Fe]123([n]4c5c6[n]1cccc6ccc5ccc4)([S]=P(OC(C)C)(OC(C)C)S2)[S]=P(OC(C)C)(OC(C)C)S3
• Title of publication: Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)
• Authors of publication: Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 42 - 44
• a: 11.5761 ± 0.0002 Å
• b: 18.8015 ± 0.0001 Å
• c: 14.7098 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201.56 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes