Information card for entry 7008677

Structure parameters

• Formula: C24 H29 Cl2 Fe N5
• Calculated formula: C24 H29 Cl2 Fe N5
• SMILES: [Fe]123(Cl)(Cl)[n]4ccccc4C[N]1(Cc1[n]2cccc1)CC[NH]3c1c(cc(cc1)C)C.N#CC
• Title of publication: Substituted N-picolylethylenediamines of the type (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2] and their transition metal(II) halide complexes.
• Authors of publication: Davies, Christopher J.; Fawcett, John; Shutt, Richard; Solan, Gregory A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 15
• Pages of publication: 2630 - 2640
• a: 19.206 ± 0.004 Å
• b: 14.8 ± 0.003 Å
• c: 17.27 ± 0.004 Å
• α: 90°
• β: 99.752 ± 0.004°
• γ: 90°
• Cell volume: 4838 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.167
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No