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Information card for entry 2017841
Preview
| Coordinates | 2017841.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Hexakis(prop-2-enamide)copper(II) bis(perchlorate) |
|---|---|
| Formula | C18 H30 Cl2 Cu N6 O14 |
| Calculated formula | C18 H30 Cl2 Cu N6 O14 |
| Title of publication | Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate) |
| Authors of publication | Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m358 - m362 |
| a | 8.4577 ± 0.0005 Å |
| b | 9.8762 ± 0.0006 Å |
| c | 17.7889 ± 0.0011 Å |
| α | 88.392 ± 0.003° |
| β | 85.871 ± 0.003° |
| γ | 83.69 ± 0.003° |
| Cell volume | 1472.77 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017841.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017841.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017841.cif |
| 4149 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017841 via cif-deposit CGI script. |
2017841.cif |
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