Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4311141
Preview
| Coordinates | 4311141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C105 H127 Mn9 N71 O43 |
|---|---|
| Calculated formula | C105 H84 Mn9 N71 O43 |
| Title of publication | Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies |
| Authors of publication | Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3812 - 3824 |
| a | 18.1578 ± 0.0012 Å |
| b | 18.2887 ± 0.0012 Å |
| c | 26.7641 ± 0.0015 Å |
| α | 105.788 ± 0.001° |
| β | 101.547 ± 0.002° |
| γ | 91.125 ± 0.001° |
| Cell volume | 8353.6 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2259 |
| Residual factor for significantly intense reflections | 0.1342 |
| Weighted residual factors for significantly intense reflections | 0.3757 |
| Weighted residual factors for all reflections included in the refinement | 0.4293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.301 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179150 (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 4/31/11. |
4311141.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311141.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311141.cif |
| 2633 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311141 via cif-deposit CGI script. |
4311141.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.