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Information card for entry 7225823
Preview
| Coordinates | 7225823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H106 Br10 Mn10 N26 O38 |
|---|---|
| Calculated formula | C117 H106 Br10 Mn10 N26 O38 |
| SMILES | [Mn]1234([N]5[N]6[Mn]78(OC=5c5c(O1)ccc(Br)c5)([N]1[N]5[Mn]9%10([N]%11[N]%12[Mn]%13%14(OC=%11c%11c(O9)ccc(Br)c%11)([N]9[N]([Mn]%11%15([N]%16[N]([Mn]%17%18([N]%19[N]([Mn]%20%21(OC=%19c%19c(O%18)ccc(Br)c%19)([N]%18[N]%19[Mn]%22%23([N]%24[N]%25[Mn]%26%27(OC=%24c%24c(O%22)ccc(Br)c%24)([N]%22[N]([Mn]%24%28([N]([N]3=C(O%24)CCCC=%25O%23)=C(O4)c3c(O%28)ccc(Br)c3)(OC=%22c3c(O%26)ccc(Br)c3)[OH2])=C(O%27)CCCC=%19O%20)[OH2])(OC=%18c3c(O%21)ccc(Br)c3)[O]=CN(C)C)[O]=CN(C)C)=C(O%17)CCCC=6O2)(OC=%16c2c(O%15)ccc(Br)c2)[n]2ccccc2)=C(O%11)CCCC=%12O%10)(OC=9c2c(O%14)ccc(Br)c2)[OH2])=C(O%13)CCCC=5O8)[OH2])(OC=1c1c(O7)ccc(Br)c1)[O]=CN(C)C)[O]=CN(C)C)[n]1ccccc1 |
| Title of publication | Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties |
| Authors of publication | Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 33 |
| Pages of publication | 6143 |
| a | 20.239 ± 0.009 Å |
| b | 21.285 ± 0.009 Å |
| c | 26.335 ± 0.011 Å |
| α | 113.598 ± 0.006° |
| β | 91.571 ± 0.007° |
| γ | 95.727 ± 0.006° |
| Cell volume | 10316 ± 8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1638 |
| Residual factor for significantly intense reflections | 0.0989 |
| Weighted residual factors for significantly intense reflections | 0.2351 |
| Weighted residual factors for all reflections included in the refinement | 0.2597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186368 (current) | 2016-09-10 | cif/ Updating files of 7225820, 7225821, 7225822, 7225823 Original log message: Adding full bibliography for 7225820--7225823.cif. |
7225823.cif |
| 184243 | 2016-07-06 | cif/ Adding structures of 7225820, 7225821, 7225822, 7225823 via cif-deposit CGI script. |
7225823.cif |
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Users of the data should acknowledge the original authors of the
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