Information card for entry 7015393

Structure parameters

• Formula: C18 H26 Cl2 Mn N4
• Calculated formula: C18 H26 Cl2 Mn N4
• SMILES: [Mn]123(Cl)(Cl)[n]4c(C[N]1(CC[N]2(Cc1[n]3c(ccc1)C)C)C)cccc4C
• 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: 13.6436 ± 0.0011 Å
• b: 16.3086 ± 0.0013 Å
• c: 17.9521 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3994.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No