Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7108433
Preview
| Coordinates | 7108433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terephthalate dianion_ 2 neodymium(iii)_21 H2O |
|---|---|
| Formula | C78 H96 N10 Nd2 O41 |
| Calculated formula | C78 H54 N10 Nd2 O41 |
| Title of publication | Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly |
| Authors of publication | Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 10186 - 10188 |
| a | 11.649 ± 0.002 Å |
| b | 16.833 ± 0.003 Å |
| c | 25.515 ± 0.005 Å |
| α | 99.17 ± 0.03° |
| β | 101.55 ± 0.03° |
| γ | 93.41 ± 0.03° |
| Cell volume | 4817.6 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1254 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.222 |
| Weighted residual factors for all reflections included in the refinement | 0.2429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180188 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/84. |
7108433.cif |
| 91951 | 2013-12-30 | cif/7/10/ (saulius@koala.ibt.lt) Fixing structures from the distant future :) (correcting year 2912 -> 2012, adding last page and DOI) for entries 7108432 -- 7108435. |
7108433.cif |
| 67593 | 2012-10-01 | cif/ Adding structures of 7108432, 7108433, 7108434, 7108435 via cif-deposit CGI script. |
7108433.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.