Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325447
Preview
| Coordinates | 4325447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H114 Ga6 Mo |
|---|---|
| Calculated formula | C78 H114 Ga6 Mo |
| SMILES | [Mo]([Ga]12C3([C]1(=[C]2(C(=C3C)C)C)C)C)([Ga]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Ga]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Ga]C1(C(=C(C(=C1C)C)C)C)C)([Ga]12[C]3(=[C]1(C2(C(=C3C)C)C)C)C)[Ga]12[C]3(=[C]1(C2(C(=C3C)C)C)C)C.c1(cc(cc(c1)C)C)C.c1(cc(cc(c1)C)C)C |
| Title of publication | Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium |
| Authors of publication | Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 5808 - 5814 |
| a | 12.2106 ± 0.0009 Å |
| b | 14.741 ± 0.0012 Å |
| c | 21.1396 ± 0.0017 Å |
| α | 79.893 ± 0.007° |
| β | 87.157 ± 0.007° |
| γ | 77.266 ± 0.007° |
| Cell volume | 3653.6 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1231 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.756 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179357 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/54. |
4325447.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325447.cif |
| 44517 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325447 via cif-deposit CGI script. |
4325447.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.