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Information card for entry 1565998
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1565998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H58 B2 Na Nd O8 |
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Calculated formula | C30 H58 B2 Na Nd O8 |
SMILES | [Nd]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)([H][BH]([H]9)[H]%10)[H][BH]([H]%12)[H]%11.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1 |
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 | 9.2168 ± 0.0004 Å |
b | 21.925 ± 0.0011 Å |
c | 17.7809 ± 0.0009 Å |
α | 90° |
β | 94.5619 ± 0.0011° |
γ | 90° |
Cell volume | 3581.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
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 | 0.076 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/1565998.html
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Users of the data should acknowledge the original authors of the
structural data.