Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080896
Preview
Coordinates | 4080896.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(COD)Pt(CC(4Me)Ph)2] |
---|---|
Chemical name | Bis((4-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II) |
Formula | C26 H26 Pt |
Calculated formula | C26 H26 Pt |
SMILES | C(#Cc1ccc(cc1)C)[Pt]123([CH]4=[CH]2CC[CH]1=[CH]3CC4)C#Cc1ccc(cc1)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 | 10.3303 ± 0.0011 Å |
b | 7.9232 ± 0.0012 Å |
c | 11.9632 ± 0.0013 Å |
α | 90° |
β | 90.055 ± 0.008° |
γ | 90° |
Cell volume | 979.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 3 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.027 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.063 |
Weighted residual factors for all reflections included in the refinement | 0.0638 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
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/4080896.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.