Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4303455
Preview
| Coordinates | 4303455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | spiro(Butane-1,4-diamino)-[N,N'-bis(1-ferrocenyl-methyl)]-4,4,6,6 tetrakis-pyrrolidino-cyclotriphosphazatriene |
|---|---|
| Formula | C42 H62 Fe2 N9 P3 |
| Calculated formula | C42 H62 Fe2 N9 P3 |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81CN1P2(=NP(=NP(=N2)(N2CCCC2)N2CCCC2)(N2CCCC2)N2CCCC2)N(CCCC1)C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91 |
| Title of publication | Phosphorus-Nitrogen Compounds. 18. Syntheses, Stereogenic Properties, Structural and Electrochemical Investigations, Biological Activities, and DNA Interactions of New Spirocyclic Mono- and Bisferrocenylphosphazene Derivatives |
| Authors of publication | Nuran Asmafiliz; Zeynel Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç; Leyla Açik; Özgül Kisa; Ali Albay; Zafer Üstündağ; Ali Osman Solak |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 10102 - 10116 |
| a | 11.494 ± 0.004 Å |
| b | 15.259 ± 0.003 Å |
| c | 15.293 ± 0.003 Å |
| α | 60.984 ± 0.014° |
| β | 75.49 ± 0.02° |
| γ | 71.33 ± 0.02° |
| Cell volume | 2207.4 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1316 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1567 |
| Weighted residual factors for all reflections included in the refinement | 0.1847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176343 (current) | 2016-02-11 | cif/ (antanas@kurmis) Replacing _[local]_cod_depositor_comments tag with _cod_depositor_comments in multiple entries since this tag is widely used in the COD and formally defined in the COD CIF dictionary. All other _[local]_cod_* tags in the affected entries were also replaced with the appropriate tags without the '_[local]' prefix (except for the _[local]_cod_citation_special_details tag that was not affected since it does not yet have a formal definition in the COD CIF dictionary). |
4303455.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303455.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303455.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303455.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.