Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102089
Preview
| Coordinates | 8102089.cif |
|---|
| Chemical name | trichloro-bis(N,N'-1,10-phenanthroline)-dimethylformamide-cerium(III) dimethylformamide solvate |
|---|---|
| Formula | C30 H30 Ce Cl3 N6 O2 |
| Calculated formula | C30 H30 Ce Cl3 N6 O2 |
| SMILES | [Ce]12(Cl)(Cl)(Cl)([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c3c4[n]2cccc4ccc3ccc1)[O]=CN(C)C.N(C=O)(C)C |
| Title of publication | Crystal structure of trichloro-bis(N,N'-1,10-phenanthroline)-dimethylformamide- cerium(III) dimethylformamide solvate, Ce(C~12~H~8~N~2~)~2~((CH~3~)~2~NCHO)Cl~3~ · (CH~3~)~2~NCHO |
| Authors of publication | Jin, Q.-H.; Deng, S.-F.; Dong, J.-C.; Gao, H.-W.; Li, P.-Z. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 98 - 100 |
| a | 14.4997 ± 0.0003 Å |
| b | 9.9858 ± 0.0002 Å |
| c | 22.1235 ± 0.0004 Å |
| α | 90° |
| β | 92.123 ± 0.001° |
| γ | 90° |
| Cell volume | 3201.09 ± 0.11 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 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. |
8102089.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102089.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102089.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102089.cif |
| 12828 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102089 via cif-deposit CGI script. |
8102089.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.