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Information card for entry 1565999
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1565999.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H22 B Nd O |
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Calculated formula | C14 H22 B Nd O |
SMILES | [Nd]123456789%10([O]%11CCCC%11)([cH]%11[cH]1[cH]2[cH]3[cH]4%11)([cH]1[cH]8[cH]7[cH]6[cH]51)[H][BH]([H]9)[H]%10 |
Title of publication | Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization |
Authors of publication | Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2022 |
Journal volume | 529 |
Pages of publication | 120638 |
a | 8.0165 ± 0.0001 Å |
b | 14.0995 ± 0.0001 Å |
c | 13.664 ± 0.0002 Å |
α | 90° |
β | 106.997 ± 0.001° |
γ | 90° |
Cell volume | 1476.96 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1565999.html
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Users of the data should acknowledge the original authors of the
structural data.