Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4513530
Preview
| Coordinates | 4513530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H45 Cd4 N8 O20.5 |
|---|---|
| Calculated formula | C46 H34 Cd4 N8 O20.5 |
| Title of publication | Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives |
| Authors of publication | Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4676 |
| a | 11.3022 ± 0.0005 Å |
| b | 20.8207 ± 0.0005 Å |
| c | 12.242 ± 0.0006 Å |
| α | 90° |
| β | 116.513 ± 0.005° |
| γ | 90° |
| Cell volume | 2577.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513530.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513530.cif |
| 154586 | 2015-09-05 | cif/ Updating files of 4513524, 4513525, 4513526, 4513527, 4513528, 4513529, 4513530, 4513531 Original log message: Adding full bibliography for 4513524--4513531.cif. |
4513530.cif |
| 153431 | 2015-08-15 | cif/ Adding structures of 4513524, 4513525, 4513526, 4513527, 4513528, 4513529, 4513530, 4513531 via cif-deposit CGI script. |
4513530.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.