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Information card for entry 7062777
Preview
| Coordinates | 7062777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 Cl2 Fe N7 P3 |
|---|---|
| Calculated formula | C26 H36 Cl2 Fe N7 P3 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CN1[P@]2(=N[P@]3(=NP(Cl)(Cl)=N2)N(CCCN3C)Cc2ccccc2)N(CC)CC1)[cH]1[cH]5[cH]6[cH]7[cH]81.[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CN1[P@@]2(=N[P@@]3(=NP(Cl)(Cl)=N2)N(CCCN3C)Cc2ccccc2)N(CC)CC1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Phosphorus–nitrogen compounds: part 71. Novel unsymmetrically-substituted dispiro-cyclotriphosphazenes: synthesis, characterization, antituberculosis activity, and phototunable charge storage studies |
| Authors of publication | Cemaloğlu, Reşit; Berberoğlu, İpek; Yakut, Mehtap; Binici, Arzu; Asmafiliz, Nuran; Kılıç, Zeynel; Güzel, Remziye; Erdal, Gülbahar; Şimşek, Hülya; Hökelek, Tuncer |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 42 |
| Pages of publication | 19788 - 19800 |
| a | 9.2452 ± 0.0003 Å |
| b | 13.7117 ± 0.0004 Å |
| c | 13.9344 ± 0.0004 Å |
| α | 61.558 ± 0.003° |
| β | 73.944 ± 0.004° |
| γ | 86.461 ± 0.004° |
| Cell volume | 1487.5 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0367 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287379 (current) | 2023-11-06 | cif/ Updating files of 7062776, 7062777, 7062778 Original log message: Adding full bibliography for 7062776--7062778.cif. |
7062777.cif |
| 286643 | 2023-10-04 | cif/ Adding structures of 7062776, 7062777, 7062778 via cif-deposit CGI script. |
7062777.cif |
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