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Information card for entry 2232856
Preview
| Coordinates | 2232856.cif |
|---|---|
| Structure factors | 2232856.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate |
|---|---|
| Formula | C39 H34 Cl Cu N2 O4 P2 |
| Calculated formula | C39 H34 Cl Cu N2 O4 P2 |
| SMILES | [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cccc3c1c1[n]2cccc1cc3.Cl(=O)(=O)(=O)[O-] |
| Title of publication | [1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate |
| Authors of publication | Xiao, Ye-Lan; Zhou, Li-Li; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1713 - m1714 |
| a | 16.6548 ± 0.0015 Å |
| b | 12.9238 ± 0.0012 Å |
| c | 32.936 ± 0.003 Å |
| α | 90° |
| β | 90.126 ± 0.001° |
| γ | 90° |
| Cell volume | 7089.2 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232856.cif 2232856.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. |
2232856.cif 2232856.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232856.cif 2232856.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. | 2232856.cif 2232856.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232856.cif 2232856.hkl |
| 31737 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232856 via cif-deposit CGI script. |
2232856.cif |
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Users of the data should acknowledge the original authors of the
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