Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520126
Preview
Coordinates | 1520126.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H70 Dy2 N4 O24 Zn2 |
---|---|
Calculated formula | C76 H66 Dy2 N4 O24 Zn2 |
SMILES | [Dy]123456([O]=C(O4)c4ccccc4)([O](C)c4cccc7c4[O]1[Zn]14([O]3c3c([O]2C)cccc3C=[N]4[N]2[Zn]348[O]9[Dy]%10%11%12([O](C)c%13cccc(c9%13)C=[N]8[N]1=C7)([O](C)c1cccc(c1[O]3%11)C=2)([O]=C(O%12)c1ccccc1)(OC(=[O]%10)c1ccccc1)[O]=C(O4)c1ccccc1)[O]=C(O6)c1ccccc1)OC(=[O]5)c1ccccc1.O.O.OC.OC |
Title of publication | Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction. |
Authors of publication | Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 26 |
Pages of publication | 11935 - 11942 |
a | 23.874 ± 0.003 Å |
b | 16.89 ± 0.003 Å |
c | 22.915 ± 0.004 Å |
α | 90° |
β | 120.515 ± 0.012° |
γ | 90° |
Cell volume | 7960 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1253 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.2172 |
Weighted residual factors for all reflections included in the refinement | 0.2611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
143468 (current) | 2015-07-11 | cif/ Updating files of 1520123, 1520124, 1520125, 1520126, 1520127, 1520128, 1520129, 1520130, 1520131, 1520132, 1520133, 1520134, 1520135, 1520136, 1520137 Original log message: Adding full bibliography for 1520123--1520137.cif. |
1520126.cif |
137565 | 2015-05-30 | cif/ Adding structures of 1520123, 1520124, 1520125, 1520126, 1520127, 1520128, 1520129, 1520130, 1520131, 1520132, 1520133, 1520134, 1520135, 1520136, 1520137 via cif-deposit CGI script. |
1520126.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.