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Information card for entry 7025920
Preview
| Coordinates | 7025920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H72 B4 F16 Mn6 N16 O16 |
|---|---|
| Calculated formula | C104 H72 B4 F16 Mn6 N16 O16 |
| SMILES | [B](F)(F)(F)[F-].c1cccc2C3=CC(c4ncccc4)=[O][Mn]45678[O]3[Mn]39%10([n]12)[n]1c(C2=[O]5[Mn]5%11%12%13([n]%14ccccc%14C%14=CC%15=[O]%16[Mn]%17%18%19([n]%20ccccc%20C(=CC(=[O]8%12)c8[n]3cccc8)[O]%11%18)([O]3C(c8cccc[n]8[Mn]8%113([n]3c%15cccc3)[n]3c(C%12=[O]%19[Mn]%15%18%16([O]4C(=C2)c2cccc[n]%152)([n]2ccccc2C([O]8%18)=CC(=[O]%11)c2ncccc2)[O]7C(=C%12)c2[n]6cccc2)cccc3)=CC(c2ncccc2)=[O]%17)[O]5%14)[n]2ccccc2C([O]9%13)=CC(=[O]%10)c2ncccc2)cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands. |
| Authors of publication | Langley, Stuart K.; Chilton, Nicholas F.; Massi, Massimiliano; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 31 |
| Pages of publication | 7236 - 7249 |
| a | 29.3102 ± 0.0004 Å |
| b | 29.3102 ± 0.0004 Å |
| c | 15.2712 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13119.3 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0852 |
| Weighted residual factors for significantly intense reflections | 0.2254 |
| Weighted residual factors for all reflections included in the refinement | 0.2451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179965 (current) | 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 7/02/59. |
7025920.cif |
| 93353 | 2014-01-12 | cif/ Adding structures of 7025919, 7025920, 7025921, 7025922, 7025923, 7025924 via cif-deposit CGI script. |
7025920.cif |
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Users of the data should acknowledge the original authors of the
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