Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319108
Preview
Coordinates | 4319108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H16 Cl12 Cr Fe O6 |
---|---|
Calculated formula | C34 H16 Cl12 Cr Fe O6 |
SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81.[Cr]123(Oc4c(Cl)c(Cl)c(Cl)c(Cl)c4O1)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3.c1ccccc1 |
Title of publication | New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties |
Authors of publication | Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 146 - 156 |
a | 10.9346 ± 0.0003 Å |
b | 13.939 ± 0.002 Å |
c | 14.3387 ± 0.0008 Å |
α | 82.036 ± 0.003° |
β | 75.47 ± 0.002° |
γ | 67.498 ± 0.001° |
Cell volume | 1952.3 ± 0.3 Å3 |
Cell temperature | 296.2 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 significantly intense reflections | 0.0336 |
Weighted residual factors for all reflections included in the refinement | 0.0521 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.491 |
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/4319108.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.