Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056824
Preview
Coordinates | 7056824.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[cH]4[Fe]9%10%11%12%13%142([cH]3[cH]9[cH]4%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)N(CCC1)C)[cH]1[cH]8[cH]7[cH]6[cH]51.[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[cH]4[Fe]9%10%11%12%13%142([cH]3[cH]9[cH]4%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)N(CCC1)C)[cH]1[cH]8[cH]7[cH]6[cH]51 |
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 | 9.2205 ± 0.0003 Å |
b | 18.7632 ± 0.0005 Å |
c | 19.8553 ± 0.0005 Å |
α | 90° |
β | 97.007 ± 0.003° |
γ | 90° |
Cell volume | 3409.43 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7056824.html
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.