Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313523
Preview
Coordinates | 4313523.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H20 Cl N4 O6 Tc |
---|---|
Calculated formula | C15 H20 Cl N4 O6 Tc |
SMILES | [Tc]123([n]4ccccc4CN1C(=O)CC(=O)N2Cc1[n]3cccc1)(=O)[OH2].[Cl-].O.O |
Title of publication | Synthesis and Characterization of Novel 99gTc(V) and Re(V) Complexes with Water-Soluble Tetraaza Diamido Dipyridino Ligands: Single-Crystal X-ray Structural Investigations of Mono- and Dinuclear Complexes |
Authors of publication | Laszlo Kurti; Dioni Papagiannopoulou; Minas Papadopoulos; Ioannis Pirmettis; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis; Michael Harmata; Robert R. Kuntz; Raghoottama S. Pandurangi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2960 - 2967 |
a | 13.957 ± 0.009 Å |
b | 17.14 ± 0.01 Å |
c | 7.768 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1858 ± 2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0335 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0774 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4313523.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.