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Information card for entry 7203326
Preview
| Coordinates | 7203326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H44 Mn4 N32 O6 |
|---|---|
| Calculated formula | C48 H44 Mn4 N32 O6 |
| SMILES | [Mn]123([O]4[Mn]56([O]7[Mn]89%10([O]%11[Mn]%12%13([O]1C(=N[N]%13=C(N)c1[n]%12cccc1)c1[n]3cccc1)([n]1c(C%11=N[N]%10=C(N)c3[n]9cccc3)cccc1)N=N#N)[N](N=C7c1[n]6cccc1)=C(N)c1[n]8cccc1)([N](N=C4c1[n]2cccc1)=C(N)c1[n]5cccc1)N=N#N)(N=N#N)N=N#N.O.O |
| Title of publication | Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties |
| Authors of publication | Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2006 |
| Journal volume | 16 |
| Journal issue | 26 |
| Pages of publication | 2645 |
| a | 13.02 ± 0.0009 Å |
| b | 14.0538 ± 0.001 Å |
| c | 16.5587 ± 0.0012 Å |
| α | 90° |
| β | 100.253 ± 0.001° |
| γ | 90° |
| Cell volume | 2981.5 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Weighted residual factors for all reflections included in the refinement | 0.1962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203326.cif |
| 180364 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33. |
7203326.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203326.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203326.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203326.cif |
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Users of the data should acknowledge the original authors of the
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