Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005218
Preview
Coordinates | 7005218.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H66 N6 O2 P2 Pt |
---|---|
Calculated formula | C84 H66 N6 O2 P2 Pt |
SMILES | c1(c2cc(cc(n2)c2ncccc2)OCC#C[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C#CCOc2cc(c3ccccn3)nc(c2)c2ncccc2)ncccc1.c1ccccc1.c1ccccc1 |
Title of publication | [n + n]-Heterometallomacrocyclic complexes (n > or = 2) prepared from platinum(II)-centred ditopic 2,2':6',2''-terpyridine ligands: dimensional cataloguing by pulsed-field gradient spin-echo NMR spectroscopy. |
Authors of publication | Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 16 |
Pages of publication | 1593 - 1602 |
a | 9.3237 ± 0.0005 Å |
b | 13.3692 ± 0.0007 Å |
c | 15.5613 ± 0.0007 Å |
α | 104.458 ± 0.003° |
β | 104.998 ± 0.003° |
γ | 107.061 ± 0.002° |
Cell volume | 1676.15 ± 0.16 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0511 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for all reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.0475 |
Weighted residual factors for all reflections included in the refinement | 0.0475 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1209 |
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/7005218.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.