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Information card for entry 7006007
Preview
| Coordinates | 7006007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tpyimi |
|---|---|
| Formula | C32 H46 Br Cu2 F6 N10 O10 S2 |
| Calculated formula | C32 H49 Br Cu2 F6 N10 O10 S2 |
| SMILES | [Cu]123(Br)[n]4cc5CNCCC[NH]6[Cu]7([NH](CCCNCc8ccc([n]2c8)c2[n]1c(c4cc5)ccc2)CC[NH]7CC6)([n]1cn3cc1)[OH2].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].O.O.O |
| Title of publication | Imidazolate bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) complexes of a terpyridinophane azamacrocycle: a solution and solid state study. |
| Authors of publication | Verdejo, Begoña; Blasco, Salvador; García-España, Enrique; Lloret, Francisco; Gaviña, Pablo; Soriano, Conxa; Tatay, Sergio; Jiménez, Hermas R; Doménech, Antonio; Latorre, Julio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 41 |
| Pages of publication | 4726 - 4737 |
| a | 8.833 ± 0.0003 Å |
| b | 14.95 ± 0.0005 Å |
| c | 18.285 ± 0.0008 Å |
| α | 67.191 ± 0.0011° |
| β | 81.06 ± 0.0013° |
| γ | 78.565 ± 0.002° |
| Cell volume | 2173.34 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1454 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2143 |
| Weighted residual factors for all reflections included in the refinement | 0.2642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179764 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/60. |
7006007.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006007.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006007.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006007.cif |
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