Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7061673
Preview
| Coordinates | 7061673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H29 Cl4 F Fe N6 O2 P4 |
|---|---|
| Calculated formula | C24 H29 Cl4 F Fe N6 O2 P4 |
| SMILES | [Fe]12345678([c]9(CN%10[P@]%11(Cl)=N[P@@]%12(OCCCN%12Cc%12ccc(F)cc%12)=NP(Cl)(Cl)=N[P@](Cl)(OCCC%10)=N%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.[Fe]12345678([c]9(CN%10[P@@]%11(Cl)=N[P@]%12(OCCCN%12Cc%12ccc(F)cc%12)=NP(Cl)(Cl)=N[P@@](Cl)(OCCC%10)=N%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Phosphorus–nitrogen compounds. Part 64. Comparative reactions of spiro and ansa (N/O) cyclotetraphosphazenes with bulky (4-fluorobenzyl) N/N and N/O donor type bidentate reagents: structure, stereogenic properties and cytotoxic activity studies |
| Authors of publication | Elmas, Gamze; Binici, Arzu; Yakut, Mehtap; Okumuş, Aytuğ; Kılıç, Zeynel; Çoşut, Bünyemin; Hökelek, Tuncer; Çerçi, Nebahat Aytuna; Açık, Leyla |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 33 |
| Pages of publication | 16096 - 16113 |
| a | 13.7476 ± 0.0003 Å |
| b | 15.1011 ± 0.0004 Å |
| c | 16.5961 ± 0.0004 Å |
| α | 71.075 ± 0.002° |
| β | 88.051 ± 0.003° |
| γ | 85.084 ± 0.003° |
| Cell volume | 3247.11 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1867 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.1583 |
| Weighted residual factors for all reflections included in the refinement | 0.2163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277670 (current) | 2022-09-06 | cif/ Updating files of 7061673, 7061674 Original log message: Adding full bibliography for 7061673--7061674.cif. |
7061673.cif |
| 276952 | 2022-07-27 | cif/ Adding structures of 7061673, 7061674 via cif-deposit CGI script. |
7061673.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.