Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503458
Preview
| Coordinates | 1503458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 Fe2 O2 Si4 |
|---|---|
| Calculated formula | C30 H44 Fe2 O2 Si4 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si]1(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)([c]23[Fe]49%10%11%12%13%14([cH]2[cH]4[cH]9[cH]3%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)O1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Redox-Active Macrocyclic and Linear Oligo-Carbosiloxanes Prepared via Hydrosilylation from 1,3-Divinyl-1,3-Dimethyl-1,3-Diferrocenyldisiloxane |
| Authors of publication | Bruña, Sonia; González-Vadillo, Ana M; Nieto, Daniel; Pastor, César J.; Cuadrado, Isabel |
| Journal of publication | Macromolecules |
| Year of publication | 2012 |
| Journal volume | 45 |
| Journal issue | 2 |
| Pages of publication | 781 |
| a | 21.9636 ± 0.0011 Å |
| b | 12.4959 ± 0.0007 Å |
| c | 23.6723 ± 0.0016 Å |
| α | 90° |
| β | 101.38 ± 0.004° |
| γ | 90° |
| Cell volume | 6369.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0826 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503458.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503458.cif |
| 37840 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503458 via cif-deposit CGI script. |
1503458.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.