Information card for entry 2242697

Structure parameters

• Chemical name: Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)iron(II)
• Formula: C24 H40 Cl2 Fe N4
• Calculated formula: C24 H40 Cl2 Fe N4
• SMILES: [Fe](Cl)(Cl)([N](=C(NC(C)C)C#CC1CC1)C(C)C)[N](=C(NC(C)C)C#CC1CC1)C(C)C
• Title of publication: Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes
• Authors of publication: Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1658 - 1664
• a: 17.5703 ± 0.0009 Å
• b: 30.9167 ± 0.0012 Å
• c: 10.111 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5492.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes