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Information card for entry 7010382
Preview
Coordinates | 7010382.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H20 Cl Co N4 O8 |
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Calculated formula | C10 H20 Cl Co N4 O8 |
SMILES | [Co]1234(OC(=O)C(=O)O1)[NH]1CC[NH]4CC[NH]2CC[NH]3CC1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) † |
Authors of publication | Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 5 |
Pages of publication | 758 |
a | 7.406 ± 0.004 Å |
b | 8.61 ± 0.005 Å |
c | 14.305 ± 0.01 Å |
α | 77.85 ± 0.018° |
β | 86.805 ± 0.018° |
γ | 68.773 ± 0.011° |
Cell volume | 831 ± 0.9 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1412 |
Weighted residual factors for all reflections included in the refinement | 0.1453 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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