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Information card for entry 7002852
Preview
Coordinates | 7002852.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H32 Cd2 Cl4 N4 O4 |
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Calculated formula | C12 H32 Cd2 Cl4 N4 O4 |
SMILES | C1C[NH]2CC[NH](CCO)[Cd]32([OH]1)([Cl][Cd]12([NH](CC[OH]2)CC[NH]1CCO)([Cl]3)Cl)Cl |
Title of publication | The structure of N,N′-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(ii) and Cd(ii) |
Authors of publication | de Sousa, Alvaro S.; Reisinger, Sandra A.; Fernandes, Manuel A.; Perry, Christopher B.; Varadwaj, Pradeep R.; Marques, Helder M. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 46 |
Pages of publication | 10208 - 10218 |
a | 11.0918 ± 0.0003 Å |
b | 12.4205 ± 0.0003 Å |
c | 15.9911 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2203.03 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0301 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0515 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
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/7002852.html
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