Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027520
Preview
| Coordinates | 7027520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H54 Cl4 Cu4 N8 O21 |
|---|---|
| Calculated formula | C20 H52 Cl4 Cu4 N8 O21 |
| Title of publication | Crystal structure and ferromagnetic behaviour of a novel tetranuclear copper(II) complex with an open cubane-like Cu4O4 framework |
| Authors of publication | Tan, Xiang Shi; Fujii, Yuki; Nukada, Ryoji; Mikuriya, Masahiro; Nakano, Yoshiharu |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 15 |
| Pages of publication | 2415 |
| a | 19.458 ± 0.005 Å |
| b | 11.518 ± 0.003 Å |
| c | 19.846 ± 0.004 Å |
| α | 90° |
| β | 109.15 ± 0.01° |
| γ | 90° |
| Cell volume | 4201.7 ± 1.8 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.681 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7027520.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
7027520.cif |
| 95438 | 2014-01-28 | cif/ Adding structures of 7027520 via cif-deposit CGI script. |
7027520.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.