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Information card for entry 7020132
Preview
| Coordinates | 7020132.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H43 Br2 Cu N2 P2 |
|---|---|
| Calculated formula | C49 H43 Br2 Cu N2 P2 |
| SMILES | [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(c(Br)c(c2=Cc2n1c(c(Br)c2C)C)C)C |
| Title of publication | Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands. |
| Authors of publication | Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 34 |
| Pages of publication | 10199 - 10210 |
| a | 11.0123 ± 0.0019 Å |
| b | 11.935 ± 0.002 Å |
| c | 17.701 ± 0.003 Å |
| α | 82.839 ± 0.002° |
| β | 80.293 ± 0.003° |
| γ | 71.108 ± 0.002° |
| Cell volume | 2163.5 ± 0.6 Å3 |
| Cell temperature | 186 ± 2 K |
| Ambient diffraction temperature | 186 ± 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179905 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/01. |
7020132.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020132.cif |
| 71510 | 2013-01-20 | cif/ Adding structures of 7020129, 7020130, 7020131, 7020132, 7020133, 7020134, 7020135, 7020136 via cif-deposit CGI script. |
7020132.cif |
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Users of the data should acknowledge the original authors of the
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