Information card for entry 7008678

Structure parameters

• Formula: C24 H29 Cl2 Fe N5
• Calculated formula: C24 H29 Cl2 Fe N5
• SMILES: [Fe]12(Cl)(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)CCNc1c(cccc1C)C.C(#N)C
• 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: 7.5084 ± 0.0013 Å
• b: 12.873 ± 0.002 Å
• c: 12.978 ± 0.002 Å
• α: 82.257 ± 0.003°
• β: 86.705 ± 0.003°
• γ: 83.201 ± 0.003°
• Cell volume: 1233.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No