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Information card for entry 7062776
Preview
| Coordinates | 7062776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 Cl2 Fe N7 P3 |
|---|---|
| Calculated formula | C24 H32 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(CCN3C)Cc2ccccc2)N(CC1)C)[cH]1[cH]8[cH]7[cH]6[cH]51.[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CN1[P@]2(=N[P@]3(=NP(Cl)(Cl)=N2)N(CCN3C)Cc2ccccc2)N(CC1)C)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| 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 | 24.4648 ± 0.0005 Å |
| b | 13.2516 ± 0.0003 Å |
| c | 17.9929 ± 0.0004 Å |
| α | 90° |
| β | 96.509 ± 0.004° |
| γ | 90° |
| Cell volume | 5795.7 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
7062776.cif |
| 286643 | 2023-10-04 | cif/ Adding structures of 7062776, 7062777, 7062778 via cif-deposit CGI script. |
7062776.cif |
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