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Information card for entry 4319406
Preview
Coordinates | 4319406.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H38 Cl2 Co3 N12 |
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Calculated formula | C46 H38 Cl2 Co3 N12 |
SMILES | [Co]1234([Co]5678[Co](Cl)([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)[n]1c(N8c2[n]4cccc2)cccc1)Cl.c1ccccc1 |
Title of publication | Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers |
Authors of publication | Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 1256 - 1264 |
a | 18.521 ± 0.002 Å |
b | 29.046 ± 0.003 Å |
c | 16.068 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8644 ± 1.4 Å3 |
Cell temperature | 260 ± 2 K |
Ambient diffraction temperature | 260 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0744 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for all reflections | 0.1766 |
Weighted residual factors for significantly intense reflections | 0.1595 |
Goodness-of-fit parameter for all reflections | 1.074 |
Goodness-of-fit parameter for significantly intense reflections | 1.048 |
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/4319406.html
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