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Information card for entry 7029241
Preview
Coordinates | 7029241.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [CpTa(u-NAr)(BH4)]2 |
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Formula | C34 H52 B2 N2 Ta2 |
Calculated formula | C34 H52 B2 N2 Ta2 |
SMILES | [Ta]1234567([Ta]89%10%11%12([H][BH2][H]8)(N1c1c(cccc1C(C)C)C(C)C)(N2c1c(cccc1C(C)C)C(C)C)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([H][BH2][H]7)[cH]1[cH]3[cH]4[cH]5[cH]61 |
Title of publication | Group 5 hydride and borohydride complexes supported by cyclopentadienyl-imido ligand sets. |
Authors of publication | McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Mountford, Philip; Nikonov, Georgii I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 1 |
Pages of publication | 188 - 195 |
a | 10.677 ± 0.0002 Å |
b | 20.3428 ± 0.0002 Å |
c | 15.7568 ± 0.0002 Å |
α | 90° |
β | 96.4877 ± 0.0005° |
γ | 90° |
Cell volume | 3400.46 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for all reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.0291 |
Weighted residual factors for all reflections included in the refinement | 0.0291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0738 |
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/7029241.html
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Users of the data should acknowledge the original authors of the
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