Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4309679
Preview
| Coordinates | 4309679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H144 Co4 N4 O16 P4 Si8 |
|---|---|
| Calculated formula | C73.5 H144 Co4 N4 O16 P4 Si8 |
| SMILES | [Co]12([O]=P(C)(C)C)[O]3[Si](N([Si](C)(C)C)c4c(cccc4C(C)C)C(C)C)(O)O[Co]4([O]=P(C)(C)C)[O]5[Co]([O]=P(C)(C)C)([O]4[Si](N([Si](C)(C)C)c4c(cccc4C(C)C)C(C)C)(O1)O)O[Si](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)(O)[O]2[Co]3([O]=P(C)(C)C)O[Si]5(N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)O |
| Title of publication | Polyhedral Cobalt(II) and Iron(II) Siloxanes: Synthesis and X-ray Crystal Structure of [(RSi(OH)O2)Co(OPMe3)]4 and [(RSiO3)2(RSi(OH)O2)4(μ3-OH)2Fe8(THF)4] (R = (2,6-iPr2C6H3)N(SiMe3)) |
| Authors of publication | Umesh N. Nehete; Herbert W. Roesky; Hongping Zhu; Sharanappa Nembenna; Hans-Georg Schmidt; Mathias Noltemeyer; Dmitrij Bogdanov; Konrad Samwer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7243 - 7248 |
| a | 28.705 ± 0.006 Å |
| b | 27.685 ± 0.006 Å |
| c | 29.579 ± 0.006 Å |
| α | 90° |
| β | 106.41 ± 0.03° |
| γ | 90° |
| Cell volume | 22549 ± 9 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2562 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.697 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179134 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/96. |
4309679.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309679.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309679.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309679.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.