Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 4500019
Preview
| Coordinates | 4500019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 Ca5 O30 P4 |
|---|---|
| Calculated formula | C8 Ca5 O30 P4 |
| Title of publication | Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening |
| Authors of publication | Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1713 - 1722 |
| a | 29.7116 ± 0.0004 Å |
| b | 8.84842 ± 0.00009 Å |
| c | 11.31039 ± 0.00009 Å |
| α | 90° |
| β | 93.24 ± 0.0008° |
| γ | 90° |
| Cell volume | 2968.76 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| RFsqd | 0.13181 |
| Goodness-of-fit parameter for all reflections | 4.02 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.2998 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1315 (current) | 2025-07-01 | cif/ Adding structures of 4500018, 4500019, 4500020, 4500021 via cif-deposit CGI script. |
4500019.cif |
All data in the TESTCOD 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.