Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517806
Preview
| Coordinates | 1517806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H46 Cl2 N10 O2 Pt |
|---|---|
| Calculated formula | C34 H46 Cl2 N10 O2 Pt |
| SMILES | [Pt]12([NH]=C(N(C(=[N]1c1ccccc1)N)c1ccccc1)N(C)C)[N](c1ccccc1)=C(N(c1ccccc1)C(=[NH]2)N(C)C)N.[Cl-].[Cl-].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 | 10.5253 ± 0.0005 Å |
| b | 17.2681 ± 0.0008 Å |
| c | 20.8581 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3791 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517806.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517806.cif |
| 127173 | 2014-11-12 | cif/ Updating files of 1517806, 1517807, 1517808, 1517809, 1517810, 1517811 Original log message: Adding full bibliography for 1517806--1517811.cif. |
1517806.cif |
| 124134 | 2014-09-23 | cif/ Adding structures of 1517806, 1517807, 1517808, 1517809, 1517810, 1517811 via cif-deposit CGI script. |
1517806.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.