Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071752
Preview
| Coordinates | 4071752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H72 Fe2 O Si2 |
|---|---|
| Calculated formula | C54 H72 Fe2 O Si2 |
| SMILES | [c]12([cH]3[cH]4[Fe]5678913([cH]1[cH]6[cH]9[cH]8[cH]71)[cH]2[cH]45)[Si](c1c(cc(cc1C(C)C)C(C)C)C(C)C)=[Si]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1c(cc(cc1C(C)C)C(C)C)C(C)C.O1CCCC1 |
| Title of publication | 1,2-Bis(ferrocenyl)disilene: A Multistep Redox System with an SiSi Double Bond |
| Authors of publication | Sasamori, Takahiro; Yuasa, Akihiro; Hosoi, Yoshinobu; Furukawa, Yukio; Tokitoh, Norihiro |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3325 |
| a | 19.3619 ± 0.0007 Å |
| b | 10.0596 ± 0.0003 Å |
| c | 26.0871 ± 0.0008 Å |
| α | 90° |
| β | 106.274 ± 0.0013° |
| γ | 90° |
| Cell volume | 4877.5 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0727 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071752.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071752.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071752.cif |
| 44012 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071752 via cif-deposit CGI script. |
4071752.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.