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Information card for entry 4065407
Preview
Coordinates | 4065407.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H21 B10 N |
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Calculated formula | C15 H21 B10 N |
SMILES | N1c2c(C([C]3456[CH]789[BH]%10%113[BH]3%124[BH]4%135[BH]567[BH]67%13[BH]%13%124[BH]4%113[BH]38%10[BH]956[BH]7%1343)c3c1cccc3)cccc2 |
Title of publication | Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation |
Authors of publication | Ren, Shikuo; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5953 |
a | 22.782 ± 0.004 Å |
b | 11.675 ± 0.002 Å |
c | 6.5301 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1736.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0683 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1316 |
Weighted residual factors for all reflections included in the refinement | 0.1461 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4065407.html
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Users of the data should acknowledge the original authors of the
structural data.