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Information card for entry 4300224
Preview
Coordinates | 4300224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H68 B2 Co N12 |
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Calculated formula | C45 H68 B2 Co N12 |
SMILES | [Co]1234([n]5[n]([BH]([n]6[n]1c(c1c6CCC1)C)[n]1[n]2c(c2c1CCC2)C)c1c(c5C)CCC1)[n]1[n]([BH]([n]2[n]3c(cc2)CC(C)(C)C)[n]2[n]4c(cc2)CC(C)(C)C)ccc1CC(C)(C)C |
Title of publication | Analogues of the Tp* Ligand Containing a 3-Me but Non-Methyl 5-R Groups |
Authors of publication | Arnold L. Rheingold; Louise M. Liable-Sands; Swiatoslaw Trofimenko |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 1333 - 1335 |
a | 11.2868 ± 0.0002 Å |
b | 11.8235 ± 0.0002 Å |
c | 19.2928 ± 0.0002 Å |
α | 83.9944 ± 0.0004° |
β | 76.9762 ± 0.0003° |
γ | 74.8476 ± 0.0007° |
Cell volume | 2418.32 ± 0.06 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.1422 |
Weighted residual factors for all reflections included in the refinement | 0.1503 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
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/4300224.html
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Users of the data should acknowledge the original authors of the
structural data.