Information card for entry 7008676

Structure parameters

• Formula: C44 H52 Cl4 Mn2 N8
• Calculated formula: C44 H52 Cl4 Mn2 N8
• SMILES: c1cccc2[n]1[Mn]13(Cl)([N](C2)(Cc2[n]1cccc2)CCNc1c(cccc1C)C)[Cl][Mn]12([N](Cc4cccc[n]14)(Cc1[n]2cccc1)CCNc1c(cccc1C)C)(Cl)[Cl]3
• 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: 12.08 ± 0.002 Å
• b: 14.978 ± 0.003 Å
• c: 13.642 ± 0.003 Å
• α: 90°
• β: 116.103 ± 0.003°
• γ: 90°
• Cell volume: 2216.5 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No