Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4301458
Preview
| Coordinates | 4301458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H42 Er3 N4 O35 P2 |
|---|---|
| Calculated formula | C21 H27 Er3 N4 O35 P2 |
| Title of publication | Synthesis, Characterization, and Properties of Organically Templated Lanthanide Oxalatophosphates with a Three-Dimensional Honeycomb Structure: (H4APPIP)[Ln3(C2O4)5.5(H2PO4)2].5H2O (Ln = Er-Lu, APPIP = 1,4-Bis(3-aminopropyl)piperazine) |
| Authors of publication | Chih-Min Wang; Yi-Ying Wu; Chia-Hung Hou; Chii-Chang Chen; Kwang-Hwa Lii |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 1519 - 1523 |
| a | 8.5146 ± 0.0002 Å |
| b | 16.2049 ± 0.0005 Å |
| c | 28.547 ± 0.0008 Å |
| α | 90° |
| β | 96.212 ± 0.002° |
| γ | 90° |
| Cell volume | 3915.74 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179052 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14. |
4301458.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4301458.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301458.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301458.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301458.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.