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Information card for entry 7011400
Preview
Coordinates | 7011400.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H38 Cl4 Co2 N10 O22 |
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Calculated formula | C22 H38 Cl4 Co2 N10 O22 |
SMILES | C1CC[N]2=Cc3ccc4C=[N]5CCC[N]6[Co]75([n]4[n]3[Co]32([N]1=Cc1ccc(C=6)[n]7[n]31)([OH2])[OH2])([OH2])[OH2].O.C(#N)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.C(#N)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Exchange-coupled high-spin, low-spin and spin-crossover dicobalt(ii) complexes of a pyridazine-containing Schiff-base macrocycle: control of cobalt(ii) spin state by choice of axial ligands |
Authors of publication | Brooker, Sally; de Geest, Duncan J.; Kelly, Robert J.; Plieger, Paul G.; Moubaraki, Boujemaa; Murray, Keith S.; Jameson, Geoffrey B. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 9 |
Pages of publication | 2080 |
a | 8.8623 ± 0.0016 Å |
b | 10.5945 ± 0.0019 Å |
c | 11.653 ± 0.002 Å |
α | 69.38 ± 0.002° |
β | 85.619 ± 0.002° |
γ | 86.172 ± 0.002° |
Cell volume | 1020.1 ± 0.3 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 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 | 0.0806 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1717 |
Weighted residual factors for all reflections included in the refinement | 0.1787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/7011400.html
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