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Information card for entry 4324711
Preview
Coordinates | 4324711.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H40 Co Cr2 N6 O22 |
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Calculated formula | C42 H36 Co Cr2 N6 O22 |
SMILES | [Co]12([n]3c4c5[n]1c(ccc5ccc4ccc3C)C)([O]=C1C(O2)=[O][Cr]23([n]4c(c5[n]2cccc5)cccc4)(O1)OC(=O)C(=O)O3)([OH2])[OH2].[Cr]123([n]4c(c5[n]1cccc5)cccc4)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.O.O.O.O |
Title of publication | Solid-State Dinuclear-to-Trinuclear Conversion in an Oxalato-Bridged Chromium(III)-Cobalt(II) Complex as a New Route toward Single-Molecule Magnets |
Authors of publication | Julia Vallejo; Isabel Castro; Jesús Ferrando-Soria; Maria del Pino Déniz-Hernández; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve; Rafael Ruiz-García; Joan Cano |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 2073 - 2075 |
a | 10.18 ± 0.004 Å |
b | 14.653 ± 0.005 Å |
c | 16.585 ± 0.013 Å |
α | 72.9 ± 0.012° |
β | 83.494 ± 0.012° |
γ | 87.647 ± 0.006° |
Cell volume | 2349 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0952 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1516 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
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/4324711.html
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Users of the data should acknowledge the original authors of the
structural data.