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Information card for entry 7040014
Preview
| Coordinates | 7040014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ni2(L-Cl-O-bdpa)(mu-acetato)2]ClO4.CH3COCH3 |
|---|---|
| Formula | C39 H42 Cl2 N6 Ni2 O10 |
| Calculated formula | C39 H42 Cl2 N6 Ni2 O10 |
| SMILES | [Ni]12345[O]=C(O[Ni]678([O]=C(O1)C)[O]2c1c(cc(Cl)cc1C[N]4(Cc1cccc[n]51)Cc1[n]3cccc1)C[N]8(Cc1[n]6cccc1)Cc1[n]7cccc1)C.Cl(=O)(=O)(=O)[O-].C(=O)(C)C |
| Title of publication | Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis. |
| Authors of publication | Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 32 |
| Pages of publication | 12933 - 12950 |
| a | 10.1039 ± 0.0002 Å |
| b | 14.0417 ± 0.0002 Å |
| c | 28.0477 ± 0.0005 Å |
| α | 90° |
| β | 91.895 ± 0.001° |
| γ | 90° |
| Cell volume | 3977.12 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186438 (current) | 2016-09-10 | cif/ Updating files of 7040013, 7040014, 7040015, 7040016, 7040017, 7040018 Original log message: Adding full bibliography for 7040013--7040018.cif. |
7040014.cif |
| 184603 | 2016-07-22 | cif/ Adding structures of 7040013, 7040014, 7040015, 7040016, 7040017, 7040018 via cif-deposit CGI script. |
7040014.cif |
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