Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107823
Preview
Coordinates | 4107823.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H32 Fe N4 O3 Pd5 S50 |
---|---|
Calculated formula | C73 H32 Fe N4 O3 Pd5 S50 |
SMILES | [Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Fe]1234(Oc5ccc6ccccc6c5C=[N]1c1cccc5c1[n]2ccc5)Oc1ccc2ccccc2c1C=[N]3c1cccc2c1[n]4ccc2.O=C(C)C |
Title of publication | Evidence of the Chemical Uniaxial Strain Effect on Electrical Conductivity in the Spin-Crossover Conducting Molecular System: [FeIII(qnal)2][Pd(dmit)2]5.Acetone |
Authors of publication | Kazuyuki Takahashi; Heng-Bo Cui; Yoshinori Okano; Hayao Kobayashi; Hatsumi Mori; Hiroyuki Tajima; Yasuaki Einaga; Osamu Sato |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6688 - 6689 |
a | 13.78 ± 0.004 Å |
b | 15.634 ± 0.004 Å |
c | 24.966 ± 0.005 Å |
α | 96.675 ± 0.006° |
β | 96.97 ± 0.006° |
γ | 105.531 ± 0.006° |
Cell volume | 5081 ± 2 Å3 |
Cell temperature | 293.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/4107823.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.