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Information card for entry 2237081
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| Coordinates | 2237081.cif |
|---|---|
| Structure factors | 2237081.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4,4'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylformamide- κ<i>O</i>)diiodidocadmium |
|---|---|
| Formula | C15 H19 Cd I2 N3 O |
| Calculated formula | C15 H19 Cd I2 N3 O |
| SMILES | c1cc(C)cc2c3cc(C)cc[n]3[Cd]([n]12)([O]=CN(C)C)(I)I |
| Title of publication | (4,4'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylformamide-κ<i>O</i>)diiodidocadmium |
| Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1495 |
| a | 8.6103 ± 0.0006 Å |
| b | 15.1325 ± 0.0008 Å |
| c | 15.4263 ± 0.001 Å |
| α | 90° |
| β | 98.347 ± 0.005° |
| γ | 90° |
| Cell volume | 1988.7 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237081.cif 2237081.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. |
2237081.cif 2237081.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237081.cif 2237081.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. | 2237081.cif 2237081.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237081.cif 2237081.hkl |
| 71360 | 2013-01-18 | cif/ Adding structures of 2237081 via cif-deposit CGI script. |
2237081.cif |
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Users of the data should acknowledge the original authors of the
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