Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4504397
Preview
| Coordinates | 4504397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H108 N8 O45 S6 |
|---|---|
| Calculated formula | C90 H108 N8 O45 S6 |
| Title of publication | Polymeric Capsules and Honeycomb Aggregates Formed byp-Sulfonatocalix[6]arene with Phenanthrolinium Compounds |
| Authors of publication | Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 1672 |
| a | 11.862 ± 0.002 Å |
| b | 18.883 ± 0.003 Å |
| c | 22.445 ± 0.004 Å |
| α | 96.668 ± 0.003° |
| β | 94.163 ± 0.003° |
| γ | 95.226 ± 0.002° |
| Cell volume | 4955.1 ± 1.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1008 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.1764 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179578 (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 4/50/43. |
4504397.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504397.cif |
| 45105 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504397 via cif-deposit CGI script. |
4504397.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.