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Information card for entry 4078448
Preview
Coordinates | 4078448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H27 B10 F Zr |
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Calculated formula | C20 H27 B10 F Zr |
SMILES | [Zr]123456789([C]%10%11%12%13[C]%14%15%16(CC1c1ccc(F)cc1)[BH]1%17%10[BH]%10%18%14[BH]%14%19%15[BH]%15%11%16[BH]%11%16%19[BH]%19%18%14[BH]%14%17%10[BH]%10%121[BH]%13%15%11[BH]%16%19%14%10)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61 |
Title of publication | Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary |
Authors of publication | Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 12 |
Pages of publication | 4435 |
a | 13.651 ± 0.006 Å |
b | 8.427 ± 0.004 Å |
c | 20.131 ± 0.008 Å |
α | 90° |
β | 102.878 ± 0.008° |
γ | 90° |
Cell volume | 2257.6 ± 1.7 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1243 |
Residual factor for significantly intense reflections | 0.0519 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1574 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4078448.html
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Users of the data should acknowledge the original authors of the
structural data.