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Information card for entry 7706618
Preview
Coordinates | 7706618.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H38 B4 N Nb2 O S |
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Calculated formula | C27 H38 B4 N Nb2 O S |
Title of publication | Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study. |
Authors of publication | Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 11 |
Pages of publication | 4036 - 4044 |
a | 12.3639 ± 0.0014 Å |
b | 9.6186 ± 0.0009 Å |
c | 13.6552 ± 0.0014 Å |
α | 90° |
β | 106.009 ± 0.004° |
γ | 90° |
Cell volume | 1560.9 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0759 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.18 |
Weighted residual factors for all reflections included in the refinement | 0.1876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation probe | x-ray |
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/7706618.html
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structural data.