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Information card for entry 2236917
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| Coordinates | 2236917.cif |
|---|---|
| Structure factors | 2236917.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium] |
|---|---|
| Formula | C48 H32 Br4 Cd2 N4 |
| Calculated formula | C48 H32 Br4 Cd2 N4 |
| SMILES | c1[n]2c3c(c(c4ccccc4)c1)ccc1c3[n]([Cd]32(Br)[Br][Cd]2([n]4ccc(c5ccccc5)c5ccc6c(c7ccccc7)cc[n]2c6c45)(Br)[Br]3)ccc1c1ccccc1 |
| Title of publication | Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium] |
| Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1471 |
| a | 10.1704 ± 0.0004 Å |
| b | 12.4702 ± 0.0005 Å |
| c | 17.3444 ± 0.0007 Å |
| α | 90° |
| β | 103.187 ± 0.003° |
| γ | 90° |
| Cell volume | 2141.73 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181291 (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 2/23/69. |
2236917.cif 2236917.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. |
2236917.cif 2236917.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236917.cif 2236917.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. | 2236917.cif 2236917.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. |
2236917.cif 2236917.hkl |
| 71180 | 2013-01-18 | cif/ Adding structures of 2236917 via cif-deposit CGI script. |
2236917.cif |
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Users of the data should acknowledge the original authors of the
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