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Information card for entry 4331520
Preview
| Coordinates | 4331520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C150 H106 Cu6 F36 N18 O12 |
|---|---|
| Calculated formula | C150 H106 Cu6 F36 N18 O12 |
| SMILES | c1ccc2C3=c4ccc[n]4[Cu]4(OC(=CC(C(F)(F)F)=[O]4)C(F)(F)F)(n12)[n]1ccc(C2=c4[n](ccc4)[Cu]4([n]5ccc(C6=c7[n](ccc7)[Cu]7([n]8ccc(C9=c%10ccc[n]%10[Cu]%10(n%11c9ccc%11)([n]9ccc(C%11=c%12[n]([Cu]%13([n]%14ccc(C%15=c%16[n](ccc%16)[Cu]%16([n]%17ccc3c3c%17cccc3)(n3c%15ccc3)[O]=C(C(F)(F)F)C=C(O%16)C(F)(F)F)c3c%14cccc3)([O]=C(C(F)(F)F)C=C(O%13)C(F)(F)F)n3cccc%113)ccc%12)c3c9cccc3)OC(=CC(=[O]%10)C(F)(F)F)C(F)(F)F)c3c8cccc3)(n3c6ccc3)[O]=C(C(F)(F)F)C=C(O7)C(F)(F)F)c3c5cccc3)(n3c2ccc3)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)c2c1cccc2.CCCCCC.CCCCCC |
| Title of publication | Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions |
| Authors of publication | Halper, Sara R.; Cohen, Seth M. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 4139 - 4141 |
| a | 22.6062 ± 0.0013 Å |
| b | 21.8773 ± 0.0012 Å |
| c | 31.0283 ± 0.0017 Å |
| α | 90° |
| β | 93.968 ± 0.001° |
| γ | 90° |
| Cell volume | 15308.7 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0922 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179418 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15. |
4331520.cif |
| 97676 | 2014-01-29 | cif/ Adding structures of 4331517, 4331518, 4331519, 4331520 via cif-deposit CGI script. |
4331520.cif |
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Users of the data should acknowledge the original authors of the
structural data.