Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4314861
Preview
| Coordinates | 4314861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H36 Dy F3 N12 Ni2 O21 S |
|---|---|
| Calculated formula | C54 H36 Dy N12 Ni2 O12 |
| Title of publication | 3d-3d-4f Chain Complexes Constructed Using the Dinuclear Metallacyclic Complex [Ni2(mbpb)3]2- [H2mbpb = 1,3-Bis(pyridine-2-carboxamide)benzene] as a Ligand: Synthesis, Structures, and Magnetic Properties |
| Authors of publication | Enrique Colacio; María A. Palacios; Antonio Rodríguez-Diéguez; Antonio J. Mota; Juan Manuel Herrera; Duane Choquesillo-Lazarte; Rodolphe Clérac |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1826 - 1833 |
| a | 12.9029 ± 0.0007 Å |
| b | 16.9341 ± 0.001 Å |
| c | 28.3232 ± 0.0017 Å |
| α | 90° |
| β | 90.288 ± 0.003° |
| γ | 90° |
| Cell volume | 6188.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.3022 |
| Residual factor for significantly intense reflections | 0.1022 |
| Weighted residual factors for significantly intense reflections | 0.2227 |
| Weighted residual factors for all reflections included in the refinement | 0.278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.747 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179228 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/48. |
4314861.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314861.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314861.cif |
| 8004 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314861 via cif-deposit CGI script. |
4314861.cif |
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.