Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102123
Preview
| Coordinates | 8102123.cif |
|---|---|
| External links | PubChem |
| Chemical name | dimethylformamide-diethanolateamine-dioxomolybdenum(VI) |
|---|---|
| Formula | C7 H16 Mo N2 O5 |
| Calculated formula | C7 H16 Mo N2 O5 |
| SMILES | [Mo]12(OCC[NH]2CCO1)(=O)(=O)[O]=CN(C)C |
| Title of publication | Crystal structure of dimethylformamide-diethanolateamine-dioxomolybdenum (VI), MoO~2~[O(CH~2~)~2~NH(CH~2~)~2~O][(CH~3~)~2~NCHO] |
| Authors of publication | Zhang, Qingwei; Schulzke, Carola; Schmidt, Hans-Georg; Noltemeyer, Mathias |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 215 - 216 |
| a | 6.6514 ± 0.0013 Å |
| b | 12.862 ± 0.003 Å |
| c | 25.968 ± 0.005 Å |
| α | 90° |
| β | 95.82 ± 0.03° |
| γ | 90° |
| Cell volume | 2210.1 ± 0.8 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102123.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102123.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102123.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102123.cif |
| 12862 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102123 via cif-deposit CGI script. |
8102123.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.