Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4001506
Preview
| Coordinates | 4001506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 F2 In2 N2 O9 P2 |
|---|---|
| Calculated formula | C10 H10 F2 In2 N2 O9 P2 |
| Title of publication | Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2 |
| Authors of publication | Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 2950 |
| a | 7.8843 ± 0.0017 Å |
| b | 10.321 ± 0.002 Å |
| c | 11.395 ± 0.002 Å |
| α | 107.139 ± 0.003° |
| β | 105.101 ± 0.003° |
| γ | 99.328 ± 0.003° |
| Cell volume | 826.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001506.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4001506.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001506.cif |
| 47581 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001505, 4001506, 4001507 via cif-deposit CGI script. |
4001506.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.