Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037914
Preview
Coordinates | 7037914.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H20 Br2 Cu N2 O5 |
---|---|
Calculated formula | C24 H20 Br2 Cu N2 O5 |
SMILES | c1(Br)ccc(C(=O)O[Cu]([n]2ccccc2)([n]2ccccc2)(OC(=O)c2ccc(cc2)Br)[OH2])cc1 |
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 | 15.81 ± 0.0003 Å |
b | 5.83189 ± 0.00011 Å |
c | 14.816 ± 0.0003 Å |
α | 90° |
β | 121.1 ± 0.0008° |
γ | 90° |
Cell volume | 1169.71 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
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/7037914.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.