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Information card for entry 2234241
Preview
| Coordinates | 2234241.cif |
|---|---|
| Structure factors | 2234241.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate |
|---|---|
| Formula | C18 H41 Cl N4 Ni O7 |
| Calculated formula | C18 H41 Cl N4 Ni O7 |
| Title of publication | <i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate |
| Authors of publication | Roy, Tapashi G.; Palit, Debashis; Nath, Babul Chandra; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m525 - m526 |
| a | 9.4041 ± 0.0002 Å |
| b | 15.9593 ± 0.0004 Å |
| c | 16.0721 ± 0.0006 Å |
| α | 90° |
| β | 96.534 ± 0.003° |
| γ | 90° |
| Cell volume | 2396.48 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1586 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/42. |
2234241.cif 2234241.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234241.cif 2234241.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234241.cif 2234241.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234241.cif 2234241.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234241.cif 2234241.hkl |
| 55507 | 2012-05-05 | cif/ Adding structures of 2234241 via cif-deposit CGI script. |
2234241.cif |
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Users of the data should acknowledge the original authors of the
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