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Information card for entry 4118789
Preview
Coordinates | 4118789.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H57 Co N5 O6 S3 |
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Calculated formula | C37 H57 Co N5 O6 S3 |
SMILES | [Co]123[N](CCN1S(=O)(=O)c1c(cc(cc1C)C)C)(CCN2S(=O)(=O)c1c(cc(cc1C)C)C)CCN3S(=O)(=O)c1c(cc(cc1C)C)C.[N+](C)(C)(C)C |
Title of publication | Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands |
Authors of publication | David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 17526 - 17535 |
a | 21.1381 ± 0.0008 Å |
b | 9.0319 ± 0.0003 Å |
c | 21.2593 ± 0.0008 Å |
α | 90° |
β | 95.0347 ± 0.0004° |
γ | 90° |
Cell volume | 4043.1 ± 0.3 Å3 |
Cell temperature | 88 ± 2 K |
Ambient diffraction temperature | 88 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118789.html
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Users of the data should acknowledge the original authors of the
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