Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070823
Preview
| Coordinates | 4070823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 Ga |
|---|---|
| Calculated formula | C9 H13 Ga |
| SMILES | [Ga](c1ccc(cc1)C)(C)C |
| Title of publication | Aryl(dimethyl)gallium Compounds and Methyl(diphenyl)gallium: Synthesis, Structure, and Redistribution Reactions |
| Authors of publication | Jutzi, Peter; Izundu, Joseph; Neumann, Beate; Mix, Andreas; Stammler, Hans-Georg |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4565 |
| a | 7.02 ± 0.0003 Å |
| b | 7.121 ± 0.0003 Å |
| c | 10.309 ± 0.0005 Å |
| α | 72.703 ± 0.002° |
| β | 76.898 ± 0.003° |
| γ | 65.767 ± 0.003° |
| Cell volume | 445.43 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08. |
4070823.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' |
4070823.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070823.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070823.cif |
| 42727 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070822, 4070823, 4070824, 4070825 via cif-deposit CGI script. |
4070823.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.