Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4309759
Preview
Coordinates | 4309759.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H51 Cs2 Ge Na4 O53.5 Ru2 W9 |
---|---|
Calculated formula | C12 H12 Cs1.5 Ge Na3.5 O53.5 Ru2 W9 |
SMILES | [W]1234([O]56[W]789([O]1[Ru]1%10%11%12%13%14([O]2[W]25([O]71)(O[W]15([O]7[W](O9)(O[W]9%15([O]%16%17[W](O3)(O9)(O[W]3([O]([W](O2)(O5)(O3)(=O)=O)[Ge]67%17)(O4)(=O)=O)(=O)=[O][Ru]23456%16([O]=%15)[cH]7[cH]2[cH]3[cH]4[cH]5[cH]67)(O8)=O)(O1)(=O)=O)(=O)=O)=O)[cH]1[cH]%14[cH]%13[cH]%12[cH]%11[cH]%101)=O)=O.[Cs+].[Cs+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Trilacunary Heteropolytungstates Functionalized by Organometallic Ruthenium(II), [(RuC6H6)2XW9O34]6- (X = Si, Ge) |
Authors of publication | Li-Hua Bi; Ulrich Kortz; Michael H. Dickman; Bineta Keita; Louis Nadjo |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 7485 - 7493 |
a | 11.93 ± 0.004 Å |
b | 13.353 ± 0.004 Å |
c | 19.586 ± 0.006 Å |
α | 95.982 ± 0.005° |
β | 95.414 ± 0.006° |
γ | 98.142 ± 0.005° |
Cell volume | 3052.9 ± 1.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1375 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1117 |
Weighted residual factors for all reflections included in the refinement | 0.1466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/4309759.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.