Information card for entry 2242590

Structure parameters

• Chemical name: <i>fac</i>-Bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)
• Formula: C32 H22 Fe N12
• Calculated formula: C32 H22 Fe N12
• Title of publication: Crystal structure of <i>fac</i>-bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylidene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)
• Authors of publication: Setifi, Zouaoui; Corfield, Peter W. R.; Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Kaddouri, Yassine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1227 - 1230
• a: 17.5394 ± 0.0007 Å
• b: 13.5094 ± 0.0007 Å
• c: 13.7913 ± 0.0006 Å
• α: 90°
• β: 117.006 ± 0.003°
• γ: 90°
• Cell volume: 2911.5 ± 0.2 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes