Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517811
Preview
Coordinates | 1517811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H54 Br2 N10 O2 Pt |
---|---|
Calculated formula | C40 H54 Br2 N10 O2 Pt |
SMILES | [Pt]12([NH]=C(N(C(=[N]2c2ccccc2)N)c2ccccc2)N2CCCCC2)[NH]=C(N(c2ccccc2)C(=[N]1c1ccccc1)N)N1CCCCC1.[Br-].[Br-].OC.OC |
Title of publication | Anionic halide···alcohol clusters in the solid state. |
Authors of publication | Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2014 |
Journal volume | 118 |
Journal issue | 40 |
Pages of publication | 9529 - 9539 |
a | 8.947 ± 0.0009 Å |
b | 10.8626 ± 0.0011 Å |
c | 11.7344 ± 0.0012 Å |
α | 94.084 ± 0.005° |
β | 109.329 ± 0.005° |
γ | 104.174 ± 0.005° |
Cell volume | 1028.84 ± 0.19 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0983 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0654 |
Weighted residual factors for all reflections included in the refinement | 0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/1517811.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.