Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037916
Preview
Coordinates | 7037916.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H26 Cu N2 O5 |
---|---|
Calculated formula | C26 H26 Cu N2 O5 |
SMILES | C(=O)(c1ccc(C)cc1)O[Cu]([n]1ccccc1)([OH2])([n]1ccccc1)OC(=O)c1ccc(cc1)C |
Title of publication | The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes. |
Authors of publication | Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3398 - 3406 |
a | 15.5909 ± 0.0008 Å |
b | 6.0458 ± 0.0004 Å |
c | 25.4 ± 0.0014 Å |
α | 90° |
β | 90.28 ± 0.003° |
γ | 90° |
Cell volume | 2394.2 ± 0.2 Å3 |
Cell temperature | 223 K |
Ambient diffraction temperature | 223 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 significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/7037916.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.