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Information card for entry 4066542
Preview
Coordinates | 4066542.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Zr(CH2SiMe3){(N(Ts)CH2CH2)3N}]2 |
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Formula | C74 H100 N8 O12 S6 Si2 Zr2 |
Calculated formula | C74 H100 N8 O12 S6 Si2 Zr2 |
SMILES | C1CN2S(c3ccc(cc3)C)(=O)=[O][Zr]345(N(CCN(CCN3S(=[O]5)(=O)c3ccc(cc3)C)CCN4S(=O)(=O)c3ccc(cc3)C)S(c3ccc(cc3)C)(=O)=[O][Zr]342(N(S(=[O]4)(=O)c2ccc(cc2)C)CCN1CCN3S(=O)(=O)c1ccc(cc1)C)C[Si](C)(C)C)C[Si](C)(C)C.c1ccccc1.c1ccccc1 |
Title of publication | Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts |
Authors of publication | Schwarz, Andrew D.; Herbert, Katherine R.; Paniagua, Cristina; Mountford, Philip |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 18 |
Pages of publication | 4171 |
a | 11.12 ± 0.002 Å |
b | 32.411 ± 0.007 Å |
c | 12.042 ± 0.002 Å |
α | 90° |
β | 112.08 ± 0.03° |
γ | 90° |
Cell volume | 4021.8 ± 1.6 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for all reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0338 |
Weighted residual factors for all reflections included in the refinement | 0.0338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0798 |
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/4066542.html
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Users of the data should acknowledge the original authors of the
structural data.