Information card for entry 2010517

Structure parameters

• Chemical name: trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')iron(II)
• Formula: C22 H18 F12 Fe N4 O4
• Calculated formula: C22 H18 F12 Fe N4 O4
• SMILES: C(C1=CC(=[O][Fe]2(O1)([NH2]c1c(cccc1)N)([NH2]c1c(cccc1)N)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)(F)F
• Title of publication: Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature
• Authors of publication: Dickman, Michael H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 58 - 60
• a: 7.8148 ± 0.0001 Å
• b: 10.9332 ± 0.0002 Å
• c: 15.4893 ± 0.0003 Å
• α: 90°
• β: 99.002 ± 0.001°
• γ: 90°
• Cell volume: 1307.12 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No