Information card for entry 2242698

Structure parameters

• Chemical name: Dichloridobis(<i>N</i>,<i>N</i>'-dicyclohexyl-3-cyclopropylprop-2-ynamidine)iron(II)
• Formula: C36 H56 Cl2 Fe N4
• Calculated formula: C36 H56 Cl2 Fe N4
• SMILES: C(C#CC1CC1)(=[N](C1CCCCC1)[Fe]([N](=C(C#CC1CC1)NC1CCCCC1)C1CCCCC1)(Cl)Cl)NC1CCCCC1
• 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: 13.905 ± 0.007 Å
• b: 12.5 ± 0.006 Å
• c: 20.742 ± 0.011 Å
• α: 90°
• β: 92.24 ± 0.04°
• γ: 90°
• Cell volume: 3602 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes