Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082855
Preview
Coordinates | 4082855.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H37 Cl N4 O Pt |
---|---|
Calculated formula | C32 H37 Cl N4 O Pt |
SMILES | [Pt]12(c3c(c4n(c5c([n]14)cccc5)CCCC)cc(OCCCC)cc3c1[n]2c2ccccc2n1CCCC)Cl |
Title of publication | Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties |
Authors of publication | Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1563 |
a | 14.8937 ± 0.0007 Å |
b | 17.9595 ± 0.0006 Å |
c | 22.5016 ± 0.0008 Å |
α | 93.809 ± 0.003° |
β | 95.077 ± 0.003° |
γ | 92.866 ± 0.003° |
Cell volume | 5972.5 ± 0.4 Å3 |
Cell temperature | 291 K |
Ambient diffraction temperature | 291 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 | 0.072 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0719 |
Weighted residual factors for all reflections included in the refinement | 0.0812 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.7107 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/4082855.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.