Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4305361
Preview
| Coordinates | 4305361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H72 Al2 Mo2 N2 |
|---|---|
| Calculated formula | C62 H72 Al2 Mo2 N2 |
| SMILES | [cH]12[cH]3[Mo]456789%10%11%122[cH]1[cH]6[c]4([cH]35)[Al]1([c]23[cH]4[cH]5[cH]6[cH]%13[cH]2[Mo]2%14%15%16%173456%13[c]3([cH]%17[cH]%16[cH]%15[cH]%14[cH]23)[Al]2([c]37[cH]%12[cH]%11[cH]%10[cH]9[cH]83)[N](Cc3c2cc(cc3)C(C)(C)C)(C)C)[N](Cc2c1cc(cc2)C(C)(C)C)(C)C.c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis and Characterization of Aluminum- and Gallium-Bridged [1.1]Chromarenophanes and [1.1]Molybdarenophanes |
| Authors of publication | Clinton L. Lund; Jörg A. Schachner; Ian J. Burgess; J. Wilson Quail; Gabriele Schatte |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5992 - 6000 |
| a | 10.4377 ± 0.0004 Å |
| b | 11.651 ± 0.0004 Å |
| c | 11.6514 ± 0.0004 Å |
| α | 73.545 ± 0.003° |
| β | 89.318 ± 0.002° |
| γ | 76.12 ± 0.002° |
| Cell volume | 1316.82 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179091 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/53. |
4305361.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305361.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305361.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305361.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.