Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4324694
Preview
Coordinates | 4324694.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H38 Cl4 Cu N11 O P |
---|---|
Calculated formula | C22 H38 Cl4 Cu N11 O P |
SMILES | [Cu]1(Cl)([O]=P2(NC(=NC(=N2)N(C)C)N(C)C)n2[n]1c(cc2C)C)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C.[Cl-].C(Cl)Cl |
Title of publication | Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups |
Authors of publication | Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 2568 - 2579 |
a | 11.5158 ± 0.0007 Å |
b | 11.837 ± 0.0007 Å |
c | 12.1809 ± 0.0007 Å |
α | 85.434 ± 0.001° |
β | 81.801 ± 0.001° |
γ | 78.755 ± 0.001° |
Cell volume | 1609.59 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0936 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
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/4324694.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.