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Information card for entry 7016682
Preview
Coordinates | 7016682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H29 Cl2 Co N5 O4 |
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Calculated formula | C27 H29 Cl2 Co N5 O4 |
SMILES | [Co]1234(Cl)[N](Cc5[n]2cccc5)(CC[N]1(Cc1[n]3cccc1)Cc1ccccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Switching on oxygen activation by cobalt complexes of pentadentate ligands. |
Authors of publication | Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10698 - 10707 |
a | 16.36 ± 0.0012 Å |
b | 17.821 ± 0.001 Å |
c | 18.0306 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5256.8 ± 0.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0638 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0686 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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