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Information card for entry 7021699
Preview
| Coordinates | 7021699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C141 H114 As3 Cu3 N12 O21 |
|---|---|
| Calculated formula | C141 H108 As3 Cu3 N12 O21 |
| SMILES | [Cu]123[n]4c(ccc5c4c4[n]1c(ccc4cc5)CCCc1[n]4[Cu]5([n]6c7c4c(cc1)ccc7ccc6C)[n]1c(ccc4c1c1[n]5c(ccc1cc4)CCCc1[n]4[Cu]5([n]6c7c4c(cc1)ccc7ccc6C)[n]1c(ccc4c1c1[n]5c(ccc1cc4)CCCc1[n]2c2c(cc1)ccc1c2[n]3c(cc1)C)C)C)C.[As]123(Oc4c(O1)cccc4)(Oc1ccccc1O2)Oc1ccccc1O3.[As]123(Oc4c(O1)cccc4)(Oc1ccccc1O2)Oc1ccccc1O3.[As]123(Oc4ccccc4O1)(Oc1ccccc1O2)Oc1ccccc1O3.O.O.O |
| Title of publication | Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i). |
| Authors of publication | Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 32 |
| Pages of publication | 11426 - 11435 |
| a | 20.9348 ± 0.0006 Å |
| b | 17.0379 ± 0.0005 Å |
| c | 58.1561 ± 0.0017 Å |
| α | 90° |
| β | 98.473 ± 0.002° |
| γ | 90° |
| Cell volume | 20517 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1589 |
| Residual factor for significantly intense reflections | 0.1193 |
| Weighted residual factors for significantly intense reflections | 0.2793 |
| Weighted residual factors for all reflections included in the refinement | 0.3022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179921 (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 7/02/16. |
7021699.cif |
| 87658 | 2013-08-27 | cif/ Adding structures of 7021696, 7021697, 7021698, 7021699 via cif-deposit CGI script. |
7021699.cif |
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Users of the data should acknowledge the original authors of the
structural data.