Information card for entry 7015388

Structure parameters

• Formula: C17 H24 Cl2 Mn N4
• Calculated formula: C17 H24 Cl2 Mn N4
• SMILES: [Mn]123(Cl)(Cl)[n]4c(C)cccc4C[NH]1CC[N]2(C)Cc1[n]3c(ccc1)C
• Title of publication: Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.
• Authors of publication: Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4048 - 4058
• a: 6.7657 ± 0.0002 Å
• b: 30.3959 ± 0.0011 Å
• c: 18.741 ± 0.0007 Å
• α: 90°
• β: 98.452 ± 0.001°
• γ: 90°
• Cell volume: 3812.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1362
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No