Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073390
Preview
| Coordinates | 4073390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 Sn V2 |
|---|---|
| Calculated formula | C36 H32 Sn V2 |
| SMILES | [Sn]([c]12[cH]3[V]456789%10%111([cH]3[cH]4[cH]25)[CH]1=[CH]%11C%10[CH]9=[CH]8[CH]7=[CH]61)([c]12[cH]3[V]456789%10%111([cH]3[cH]4[cH]25)[CH]1=[CH]%11[CH]%10=[CH]9[CH]8=[CH]7C61)(c1ccccc1)c1ccccc1 |
| Title of publication | Tetrakis([5]trovacenyl)tin: Synthesis, Structure, and Intramolecular Communication† |
| Authors of publication | Elschenbroich, Christoph; Lu, Feng; Nowotny, Mathias; Burghaus, Olaf; Pietzonka, Clemens; Harms, Klaus |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 16 |
| Pages of publication | 4025 |
| a | 9.3888 ± 0.0011 Å |
| b | 11.7664 ± 0.0015 Å |
| c | 13.4341 ± 0.0016 Å |
| α | 80.25 ± 0.01° |
| β | 82.34 ± 0.01° |
| γ | 78.3 ± 0.01° |
| Cell volume | 1424.7 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0213 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178622 (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 4/07/33. |
4073390.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073390.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073390.cif |
| 46316 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073389, 4073390 via cif-deposit CGI script. |
4073390.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.