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Information card for entry 7008254
Preview
| Coordinates | 7008254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C11 H24 Cl2 F N5 O2 |
|---|---|
| Calculated formula | C11 H24 Cl2 F N5 O2 |
| SMILES | C1(=O)C(C(=O)NCC[NH2+]CCNCC[NH2+]CCN1)F.[Cl-].[Cl-] |
| Title of publication | Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands. |
| Authors of publication | Spingler, Bernhard; Da Pieve, Chiara |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 9 |
| Pages of publication | 1637 - 1643 |
| a | 9.2491 ± 0.0009 Å |
| b | 9.9016 ± 0.001 Å |
| c | 10.0535 ± 0.001 Å |
| α | 82.753 ± 0.012° |
| β | 82.007 ± 0.012° |
| γ | 65.594 ± 0.011° |
| Cell volume | 827.88 ± 0.16 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.1824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7008254.cif |
| 179786 | 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 7/00/82. |
7008254.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008254.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008254.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008254.cif |
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Users of the data should acknowledge the original authors of the
structural data.