Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080900
Preview
Coordinates | 4080900.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(COD)Pt(Me)(CC(3Me)Ph)] |
---|---|
Chemical name | ((3-Methylphenyl)ethynyl)(methyl)(1,5-cyclooctadiene)platinum(II) |
Formula | C18 H22 Pt |
Calculated formula | C18 H22 Pt |
SMILES | [Pt]123([CH]4CC[CH]3=[CH]1CC[CH]2=4)(C#Cc1cc(C)ccc1)C |
Title of publication | Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands |
Authors of publication | Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3662 |
a | 8.2036 ± 0.0016 Å |
b | 10.3681 ± 0.0014 Å |
c | 18.997 ± 0.003 Å |
α | 90° |
β | 107.414 ± 0.014° |
γ | 90° |
Cell volume | 1541.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0859 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0704 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
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/4080900.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.