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Information card for entry 7015390
Preview
Coordinates | 7015390.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H26 Cl2 Fe N4 |
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Calculated formula | C18 H26 Cl2 Fe N4 |
SMILES | [Fe]123(Cl)([n]4c(C)cccc4C[N]1(C)CC[N]2(C)Cc1[n]3c(C)ccc1)Cl |
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 | 13.6928 ± 0.0007 Å |
b | 16.244 ± 0.0008 Å |
c | 18.004 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4004.6 ± 0.3 Å3 |
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 | 0.0514 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7015390.html
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