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Information card for entry 7023277
Preview
| Coordinates | 7023277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Mn4] |
|---|---|
| Formula | C35 H44 Mn4 N3 O16 |
| Calculated formula | C35 H44 Mn4 N3 O16 |
| SMILES | [Mn]12345678[Mn]9%10%11%12%13([Mn]%14%15%161([Mn]129(Oc2c(C=[N]1C)cccc2OC)([O]=C(O3)C)([O]%10%14CC)([O]6%11)[O]7%15)(Oc1c(C=[N]%16C)cccc1OC)([O]=C(O5)C)[O]8%12)(Oc1c(C=[N]%13C)cccc1OC)[O]=C(O4)C |
| Title of publication | Homo- and heterometallic planes, chains and cubanes. |
| Authors of publication | Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 28 |
| Pages of publication | 10315 - 10325 |
| a | 11.6508 ± 0.0004 Å |
| b | 16.9627 ± 0.0006 Å |
| c | 20.691 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4089.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023277.cif |
| 179937 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32. |
7023277.cif |
| 90485 | 2013-11-17 | cif/ Adding structures of 7023277, 7023278, 7023279, 7023280, 7023281, 7023282 via cif-deposit CGI script. |
7023277.cif |
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Users of the data should acknowledge the original authors of the
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