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Information card for entry 4069921
Preview
Coordinates | 4069921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H64 B10 O6 Zr |
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Calculated formula | C32 H64 B10 O6 Zr |
SMILES | [Zr]123(OC([C]4567[C]89%103[BH]3%114[BH]4%125[BH]5%136[BH]678[BH]78%13[BH]%13%125[BH]5%114[BH]493[BH]%1067[BH]8%1354)(C(C)(C)C)C=C(O1)C(C)(C)C)(OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Synthesis and Structural Characterization of Zirconium−Carboryne Complexes |
Authors of publication | Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 19 |
Pages of publication | 5749 |
a | 10.5451 ± 0.0017 Å |
b | 23.298 ± 0.004 Å |
c | 18.315 ± 0.003 Å |
α | 90° |
β | 93.486 ± 0.003° |
γ | 90° |
Cell volume | 4491.3 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0525 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/4069921.html
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Users of the data should acknowledge the original authors of the
structural data.