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Information card for entry 2236017
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| Coordinates | 2236017.cif |
|---|---|
| Structure factors | 2236017.hkl |
| Original IUCr paper | HTML |
| Common name | Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate |
|---|---|
| Chemical name | Diaqua-1κ<i>O</i>,3κ<i>O</i>-di-μ-formato- 1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ-2,2'-[propane- 1,3-diylbis(nitrilomethanylylidene)]diphenolato}- 1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>'; 2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'- 2-cadmium(II)-1,3-dinickel(II) dihydrate |
| Formula | C36 H42 Cd N4 Ni2 O12 |
| Calculated formula | C36 H42 Cd N4 Ni2 O12 |
| Title of publication | Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate |
| Authors of publication | Zhang, Jian-Feng; Wan, Bo; Liu, Wen; Shi, Qian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1122 - m1123 |
| a | 9.6769 ± 0.0009 Å |
| b | 10.6596 ± 0.001 Å |
| c | 10.7996 ± 0.001 Å |
| α | 72.851 ± 0.001° |
| β | 63.551 ± 0.001° |
| γ | 81.478 ± 0.001° |
| Cell volume | 952.87 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0335 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236017.cif 2236017.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. |
2236017.cif 2236017.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236017.cif 2236017.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. | 2236017.cif 2236017.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2236017.cif 2236017.hkl |
| 66105 | 2012-09-06 | cif/ Adding structures of 2236017 via cif-deposit CGI script. |
2236017.cif |
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Users of the data should acknowledge the original authors of the
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