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Information card for entry 4105321
Preview
Coordinates | 4105321.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H29 B Fe2 |
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Calculated formula | C26 H29 B Fe2 |
SMILES | [Fe]12345678([c]9(B(/C=C/C(C)(C)C)[c]%10%11[cH]%12[Fe]%13%14%15%16%17%18%10([cH]%11[cH]%13[cH]%12%14)[cH]%10[cH]%15[cH]%16[cH]%17[cH]%18%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers |
Authors of publication | Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 16319 - 16329 |
a | 7.3279 ± 0.0004 Å |
b | 10.6551 ± 0.0004 Å |
c | 27.7377 ± 0.0016 Å |
α | 90° |
β | 91.604 ± 0.005° |
γ | 90° |
Cell volume | 2164.9 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0307 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0603 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/4105321.html
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Users of the data should acknowledge the original authors of the
structural data.