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Information card for entry 7114754
Preview
Coordinates | 7114754.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H71 B2 F25 O2 Si4 Zr2 |
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Calculated formula | C68 H71 B2 F25 O2 Si4 Zr2 |
SMILES | [Zr]123456789%10%11([B]%12%13([Zr]%14%15%16%17%18%19%20([CH]1%13=[CH]2%20[CH]3%14=[CH]4%12%15)([c]1([cH]%16[c]%17([cH]%18[cH]%191)[Si](C)(C)C)[Si](C)(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)CC%11[CH]5=[CH]6[B](c1c(c(c(c(c1F)F)F)F)[F]%10)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)[c]1([cH]7[c]([cH]8[cH]91)[Si](C)(C)C)[Si](C)(C)C.O(CC)CC.O(CC)CC |
Title of publication | B(C6F5)3 as a C6F5 transfer reagent in zirconium chemistry: facile formation of the borole-bridged triple-decker complex [Zr2Cp″2(C6F5)2{μ-η5∶η5-C4H4BCH2-η3,κF-CHCHCHB(C6F5)3}] |
Authors of publication | Woodman, Timothy J.; Bochmann, Manfred; Thornton-Pett, Mark |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 4 |
Pages of publication | 329 |
a | 13.2618 ± 0.0003 Å |
b | 13.6828 ± 0.0003 Å |
c | 22.115 ± 0.0006 Å |
α | 96.858 ± 0.002° |
β | 106.311 ± 0.002° |
γ | 102.906 ± 0.002° |
Cell volume | 3682.3 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0974 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/7114754.html
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