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Information card for entry 7056823
Preview
| Coordinates | 7056823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 Cl2 Fe2 N7 P3 |
|---|---|
| Calculated formula | C30 H40 Cl2 Fe2 N7 P3 |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)CN1[P@@]2(=N[P@@]3(=NP(Cl)(Cl)=N2)N(CCCN3C)C[c]23[Fe]49%10%11%12%13%14([cH]2[cH]4[cH]9[cH]3%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)N(CCC1)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Syntheses, spectroscopic and crystallographic characterizations of cis- and trans-dispirocyclic ferrocenylphosphazenes: molecular dockings, cytotoxic and antimicrobial activities |
| Authors of publication | Tümer, Yasemin; Asmafiliz, Nuran; Zeyrek, C. Tuğrul; Kılıç, Zeynel; Açık, Leyla; Çelik, S. Pınar; Türk, Mustafa; Çağdaş Tunalı, B.; Ünver, Hüseyin; Hökelek, Tuncer |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 1740 |
| a | 12.0597 ± 0.0003 Å |
| b | 12.0704 ± 0.0003 Å |
| c | 13.6777 ± 0.0004 Å |
| α | 94.87 ± 0.003° |
| β | 94.937 ± 0.003° |
| γ | 118.558 ± 0.004° |
| Cell volume | 1724.11 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230566 (current) | 2019-11-17 | cif/ Updating files of 7056822, 7056823, 7056824, 7056825 Original log message: Adding full bibliography for 7056822--7056825.cif. |
7056823.cif |
| 204339 | 2017-12-19 | cif/ Adding structures of 7056822, 7056823, 7056824, 7056825 via cif-deposit CGI script. |
7056823.cif |
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Users of the data should acknowledge the original authors of the
structural data.