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Information card for entry 2021511
Preview
| Coordinates | 2021511.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ^2^<i>O</i>:<i>O</i>'] 2-(3,4-dichlorophenyl)acetate monohydrate] |
|---|---|
| Formula | C28 H24 Cl4 Mg N2 O7 |
| Calculated formula | C28 H24 Cl4 Mg N2 O7 |
| SMILES | [Mg]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)Cc1ccc(Cl)c(Cl)c1)([OH2])([OH2])[O]=C(O[Mg]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])[OH2])Cc1ccc(Cl)c(Cl)c1.Clc1c(Cl)ccc(CC(=O)[O-])c1.O.Clc1c(Cl)ccc(CC(=O)[O-])c1.O |
| Title of publication | Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid |
| Authors of publication | Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| a | 8.3889 ± 0.0004 Å |
| b | 11.9459 ± 0.0006 Å |
| c | 29.163 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2922.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213641 (current) | 2019-02-14 | cif/ hkl/ Adding structures of 2021509, 2021510, 2021511 via cif-deposit CGI script. |
2021511.cif |
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