Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313079
Preview
Coordinates | 4313079.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H30 Br2 N6 Ni2 O6 |
---|---|
Calculated formula | C10 H30 Br2 N6 Ni2 O6 |
SMILES | C1C[NH]2CC[NH2][Ni]32([NH2]1)([O]=C1C(O3)=[O][Ni]23([NH2]CC[NH]2CC[NH2]3)(O1)[OH2])[OH2].[Br-].[Br-] |
Title of publication | Water Displacement by Cyanogold Complexes in Binuclear Nickel(II) Compounds Based on Bridging Oxalate. Synthesis, Structural Diversity, Magnetic Properties, and DFT Calculations |
Authors of publication | Pablo Vitoria; Iñaki Muga; Juan M. Gutiérrez-Zorrilla; Antonio Luque; Pascual Román; Luis Lezama; F. Javier Zúniga; Javier I. Beitia |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 960 - 969 |
a | 10.7178 ± 0.0016 Å |
b | 7.3028 ± 0.0015 Å |
c | 13.296 ± 0.003 Å |
α | 90° |
β | 96.546 ± 0.019° |
γ | 90° |
Cell volume | 1033.9 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.15 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
Diffraction radiation probe | x-ray |
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/4313079.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.