Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085344
Preview
| Coordinates | 4085344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H70 N4 O2 Sn |
|---|---|
| Calculated formula | C48 H70 N4 O2 Sn |
| SMILES | C1(=[N](C2CCCCC2)[Sn]23(N1C1CCCCC1)(N(C(=[N]2C1CCCCC1)CCCC)C1CCCCC1)Oc1c(O3)c2ccccc2c2c1cccc2)CCCC |
| Title of publication | Oxidative Additions of Homoleptic Tin(II) Amidinate |
| Authors of publication | Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 606 |
| a | 16.4173 ± 0.0005 Å |
| b | 13.233 ± 0.0002 Å |
| c | 21.3892 ± 0.0004 Å |
| α | 90° |
| β | 110.551 ± 0.003° |
| γ | 90° |
| Cell volume | 4351.08 ± 0.19 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178742 (current) | 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 4/08/53. |
4085344.cif |
| 132972 | 2015-03-04 | cif/ Updating files of 4085339, 4085340, 4085341, 4085342, 4085343, 4085344, 4085345, 4085346 Original log message: Adding full bibliography for 4085339--4085346.cif. |
4085344.cif |
| 130840 | 2015-02-04 | cif/ Adding structures of 4085339, 4085340, 4085341, 4085342, 4085343, 4085344, 4085345, 4085346 via cif-deposit CGI script. |
4085344.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.