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Information card for entry 7110578
Preview
| Coordinates | 7110578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H91 Br3 Cl8 F19 Mo6 N3 O17 P6 |
|---|---|
| Calculated formula | C97 H70 Br3 Cl8 F19 Mo6 N3 O17 P6 |
| SMILES | C12=[O]3[Mo]4567[O]=C(C(F)(F)F)O[Mo]87([O]=C(C(F)(F)F)O4)([O]1[Mo]147([Br]8)[O]=C(C(F)(F)F)O[Mo]87([O]=C(C(F)(F)F)O1)([O]2[Mo]127([Mo]3([O]=C(C(F)(F)F)O1)([P](c1ccccc1)(N[P]7(c1ccccc1)c1ccccc1)c1ccccc1)([Br]6)OC(C(F)(F)F)=[O]2)[Br]8)[P](c1ccccc1)(N[P]4(c1ccccc1)c1ccccc1)c1ccccc1)[P](N[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.C(Cl)Cl.C(Cl)Cl.[F-].O(CC)CC.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Novel cyclic hexanuclear complexes containing quadruply bonded units joined by μ6-carbonate ions |
| Authors of publication | Suen, Maw-Cherng; Tseng, Gwo-Wei; Chen, Jhy-Der; Keng, Tai-Chiun; Wang, Ju-Chun |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 13 |
| Pages of publication | 1185 |
| a | 27.5726 ± 0.0015 Å |
| b | 17.2035 ± 0.0009 Å |
| c | 27.301 ± 0.0015 Å |
| α | 90° |
| β | 106.462 ± 0.001° |
| γ | 90° |
| Cell volume | 12419.2 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.82 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180219 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05. |
7110578.cif |
| 95429 | 2014-01-28 | cif/ Adding structures of 7110577, 7110578, 7110579 via cif-deposit CGI script. |
7110578.cif |
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