Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1563037
Preview
Coordinates | 1563037.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H32 Cd N18 O15 |
---|---|
Calculated formula | C21 H34 Cd N18 O15 |
SMILES | [Cd]1([OH2])([OH2])([O]=C(O1)Cn1nnc(c2nccnc2)n1)([OH2])([OH2])([OH2])(OC(=O)Cn1nc(nn1)c1nccnc1)[OH2].n1n(nnc1c1nccnc1)CC(=O)O.O.O.O |
Title of publication | A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid) |
Authors of publication | Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2012 |
Journal volume | 186 |
Pages of publication | 124 - 133 |
a | 10.562 ± 0.002 Å |
b | 23.497 ± 0.005 Å |
c | 14.431 ± 0.003 Å |
α | 90° |
β | 105.89 ± 0.03° |
γ | 90° |
Cell volume | 3444.6 ± 1.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0912 |
Residual factor for significantly intense reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.1969 |
Weighted residual factors for all reflections included in the refinement | 0.2098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/1563037.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.