Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067241
Preview
| Coordinates | 4067241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H100 N8 O3 Zn4 |
|---|---|
| Calculated formula | C73 H100 N8 O3 Zn4 |
| SMILES | C123C4[N]5(C(C)C)[Zn]6(C#Cc7ccccc7)[N](C(C)C)=C3[N]3(C(C)C)[Zn]7(C#Cc8ccccc8)[N](=C1[N]6(C(C)C)[Zn]5([N](=C2[N]7(C(C)C)[Zn]3([N]=4C(C)C)C#Cc1ccccc1)C(C)C)C#Cc1ccccc1)C(C)C.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Synthesis, Structure, and Reactivity of a Tetranuclear Amidinato Zinc Hydride Complex |
| Authors of publication | Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Wölper, Christoph |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 6133 |
| a | 16.7697 ± 0.0005 Å |
| b | 16.1494 ± 0.0005 Å |
| c | 25.9714 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7033.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0666 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178563 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72. |
4067241.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067241.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067241.cif |
| 34129 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067240, 4067241, 4067242 via cif-deposit CGI script. |
4067241.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.