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Information card for entry 4102520
Preview
| Coordinates | 4102520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C15 H34 Cl N7 O7 |
|---|---|
| Calculated formula | C15 H34 Cl N7 O7 |
| SMILES | [NH+](CCN(C(C)C)N=O)(CCN(C(C)C)N=O)CCN(C(C)C)N=O.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands |
| Authors of publication | Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 7846 - 7847 |
| a | 11.6744 ± 0.0003 Å |
| b | 18.4324 ± 0.0004 Å |
| c | 10.8887 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2343.11 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102520.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4102520.cif |
| 178771 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/25. |
4102520.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102520.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102520.cif |
| 25401 | 2011-09-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4102520 via cif-deposit CGI script. |
4102520.cif |
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Users of the data should acknowledge the original authors of the
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