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Information card for entry 4325486
Preview
Coordinates | 4325486.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H84 Cl2 Co N20 O8 |
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Calculated formula | C54 H84 Cl2 Co N20 O8 |
SMILES | Cl(=O)(=O)(=O)[O-].[Co]1234([N](Cc5cn(C6CCCCC6)nn5)(Cc5cn(C6CCCCC6)n[n]15)Cc1cn(C5CCCCC5)n[n]21)[N](Cc1cn(C2CCCCC2)nn1)(Cc1cn(C2CCCCC2)n[n]31)Cc1cn(C2CCCCC2)n[n]41.Cl(=O)(=O)(=O)[O-] |
Title of publication | Cobalt Complexes with "Click"-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence |
Authors of publication | David Schweinfurth; Fritz Weisser; Denis Bubrin; Lapo Bogani; Biprajit Sarkar |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6114 - 6121 |
a | 17.9903 ± 0.0003 Å |
b | 18.387 ± 0.0002 Å |
c | 18.3964 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6085.3 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.073 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.1153 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/4325486.html
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