Information card for entry 7015392

Structure parameters

• Formula: C16 H22 Cl2 Mn N4
• Calculated formula: C16 H22 Cl2 Mn N4
• SMILES: [Mn]123(Cl)(Cl)[NH](Cc4[n]2c(ccc4)C)CC[NH]1Cc1[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: 11.1902 ± 0.0007 Å
• b: 9.6445 ± 0.0006 Å
• c: 18.1053 ± 0.0012 Å
• α: 90°
• β: 104.75 ± 0.001°
• γ: 90°
• Cell volume: 1889.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No