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Information card for entry 4074963
Preview
Coordinates | 4074963.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H48 O2 Si2 Zr |
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Calculated formula | C29 H48 O2 Si2 Zr |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Zr]167892345(C(C(C[c]21[c]6([c]7([c]8([c]92C)C)C)C)[Si](C)(C)C)=C=O)O[Si](C)(C)C)C)C)C)C |
Title of publication | Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide |
Authors of publication | Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 1317 - 1320 |
a | 12.136 ± 0.002 Å |
b | 16.912 ± 0.003 Å |
c | 14.873 ± 0.003 Å |
α | 90° |
β | 91.92 ± 0.03° |
γ | 90° |
Cell volume | 3050.9 ± 1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0631 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.0954 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/4074963.html
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Users of the data should acknowledge the original authors of the
structural data.