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Information card for entry 7017972
Preview
| Coordinates | 7017972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H39 Cu N2 P2 |
|---|---|
| Calculated formula | C49 H39 Cu N2 P2 |
| SMILES | [Cu]1([n]2ccccc2c2n1c1c(c2)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Neutral cuprous complexes as ratiometric oxygen gas sensors. |
| Authors of publication | Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 4 |
| Pages of publication | 1312 - 1319 |
| a | 20.386 ± 0.003 Å |
| b | 21.293 ± 0.003 Å |
| c | 9.1912 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3989.7 ± 0.9 Å3 |
| Cell temperature | 186 ± 2 K |
| Ambient diffraction temperature | 186 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7017972.cif |
| 179883 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/79. |
7017972.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017972.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017972.cif |
| 33478 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017971, 7017972, 7017973, 7017974 via cif-deposit CGI script. |
7017972.cif |
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