Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7111543
Preview
| Coordinates | 7111543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H78 B2 Lu N3 O4 |
|---|---|
| Calculated formula | C46 H78 B2 Lu N3 O4 |
| SMILES | [Lu]1234([O]5CCCC5)([O]5CCCC5)(n5c(C=[N](c6c(cccc6C(C)C)C(C)C)[BH2][H]2)ccc5CN1c1c(cccc1C(C)C)C(C)C)[H][BH]([H]3)[H]4.O1CCCC1.O1CCCC1 |
| Title of publication | Unusual reactivity of lanthanide borohydride complexes leading to a borane complex |
| Authors of publication | Meyer, Nils; Jenter, Jelena; Roesky, Peter W.; Eickerling, Georg; Scherer, Wolfgang |
| Journal of publication | Chemical Communications |
| Year of publication | 2009 |
| Journal issue | 31 |
| Pages of publication | 4693 - 4695 |
| a | 9.5587 ± 0.0009 Å |
| b | 15.1757 ± 0.0017 Å |
| c | 16.103 ± 0.0019 Å |
| α | 90° |
| β | 100.42 ± 0.009° |
| γ | 90° |
| Cell volume | 2297.4 ± 0.4 Å3 |
| Cell temperature | 6 ± 2 K |
| Ambient diffraction temperature | 6 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0271 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180229 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15. |
7111543.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7111543.cif |
| 96646 | 2014-01-29 | cif/ Adding structures of 7111542, 7111543 via cif-deposit CGI script. |
7111543.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.