Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4506296
Preview
| Coordinates | 4506296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H65 N3 O4 Sn2 |
|---|---|
| Calculated formula | C41 H65 N3 O4 Sn2 |
| SMILES | C(=O)(c1cncc(c1)C(=O)O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC.c1cc(ccn1)c1ccncc1 |
| Title of publication | Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand |
| Authors of publication | Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 3285 |
| a | 15.427 ± 0.005 Å |
| b | 11.769 ± 0.005 Å |
| c | 23.734 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 99.322 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4252 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179598 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/62. |
4506296.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506296.cif |
| 62226 | 2012-07-07 | cif/ Adding structures of 4506292, 4506293, 4506294, 4506295, 4506296, 4506297 via cif-deposit CGI script. |
4506296.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.