Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036620
Preview
| Coordinates | 7036620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mn5(N3)10(4-Bzpy)10]n |
|---|---|
| Formula | C120 H90 Mn5 N40 O10 |
| Calculated formula | C120 H90 Mn5 N40 O10 |
| Title of publication | Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations. |
| Authors of publication | Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 42 |
| Pages of publication | 18632 - 18642 |
| a | 37.0077 ± 0.0013 Å |
| b | 19.0045 ± 0.0007 Å |
| c | 17.0615 ± 0.0006 Å |
| α | 90° |
| β | 112.212 ± 0.002° |
| γ | 90° |
| Cell volume | 11109.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1095 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036620.cif |
| 171267 | 2015-12-09 | cif/ Updating files of 7036618, 7036619, 7036620 Original log message: Adding full bibliography for 7036618--7036620.cif. |
7036620.cif |
| 158264 | 2015-09-24 | cif/ Adding structures of 7036618, 7036619, 7036620 via cif-deposit CGI script. |
7036620.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.