Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083451
Preview
| Coordinates | 4083451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 Cl2 Mo N2 O2 Sn |
|---|---|
| Calculated formula | C19 H24 Cl2 Mo N2 O2 Sn |
| SMILES | [Mo]1234([Sn]56(Cl)[N](Cc7c6c(ccc7)C[N]5(C)C)(C)C)(Cl)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45 |
| Title of publication | Palladium and Molybdenum Complexes of the Heteroleptic Organostannylene [2,6-(Me2NCH2)2C6H3]SnCl |
| Authors of publication | Martincová, Jana; Jambor, Roman; Schürmann, Markus; Jurkschat, Klaus; Honzíček, Jan; Almeida Paz, Filipe A. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 16 |
| Pages of publication | 4778 - 4782 |
| a | 14.7541 ± 0.0005 Å |
| b | 9.0836 ± 0.0003 Å |
| c | 32.1522 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4309 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0738 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4069383 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209862 (current) | 2018-08-17 | cif/4/ Updating bibliography in entries 4069383-4069384, 4083451. Marking entry 4083451 as a duplicate of entry 4069383. |
4083451.cif |
| 178723 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34. |
4083451.cif |
| 153759 | 2015-08-28 | cif/4 Fixing some Z values and formulae |
4083451.cif |
| 114897 | 2014-05-29 | cif/ Adding structures of 4083451 via cif-deposit CGI script. |
4083451.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.