Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313849
Preview
Coordinates | 4313849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H68 Ce2 Mo6 N16 O51 |
---|---|
Calculated formula | C52 H68 Ce2 Mo6 N16 O51 |
SMILES | [Ce]123([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=C(c4cc(cc(c4)N(=O)=O)N(=O)=O)O[Ce]([O]=C(c4cc(cc(c4)N(=O)=O)N(=O)=O)O1)([O]=C(c1cc(N(=O)=O)cc(N(=O)=O)c1)O3)(OC(=[O]2)c1cc(N(=O)=O)cc(N(=O)=O)c1)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[O]12345[Mo]678(O[Mo]9%101(O[Mo]12(O6)(=O)O[Mo]24(O[Mo]3(O9)(O[Mo]5(O7)(O2)(=O)O%10)(O1)=O)(O8)=O)=O)=O |
Title of publication | Novel Polyoxometalate-Templated, 3-D Supramolecular Networks Based on Lanthanide Dimers: Synthesis, Structure, and Fluorescent Properties of [Ln2(DNBA)4(DMF)8][Mo6O19] (DNBA = 3,5-Dinitrobenzoate) |
Authors of publication | Xiuli Wang; Yaqin Guo; Yangguang Li; Enbo Wang; Changwen Hu; Ninghai Hu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4135 - 4140 |
a | 13.2731 ± 0.0009 Å |
b | 13.873 ± 0.0007 Å |
c | 14.2067 ± 0.0006 Å |
α | 102.652 ± 0.002° |
β | 101.03 ± 0.002° |
γ | 115.683 ± 0.002° |
Cell volume | 2175 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0497 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313849.html
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.