Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237181
Preview
Coordinates | 2237181.cif |
---|---|
Structure factors | 2237181.hkl |
Original IUCr paper | HTML |
Chemical name | Anilinium-3-carboxylate 3-carboxyanilinium nitrate |
---|---|
Formula | C14 H15 N3 O7 |
Calculated formula | C14 H15 N3 O7 |
Title of publication | Anilinium-3-carboxylate 3-carboxyanilinium nitrate |
Authors of publication | Ahmad, Saeed; Hussain, Sajjad; Sharif, Shahzad; Khan, Islam Ullah; Tahir, Muhammad Nawaz |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 1 |
Pages of publication | o29 |
a | 16.0451 ± 0.0003 Å |
b | 4.7575 ± 0.0001 Å |
c | 19.7143 ± 0.0004 Å |
α | 90° |
β | 107.66 ± 0.001° |
γ | 90° |
Cell volume | 1433.96 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0981 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181293 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/71. |
2237181.cif 2237181.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237181.cif 2237181.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237181.cif 2237181.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237181.cif 2237181.hkl |
75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237181.cif 2237181.hkl |
73402 | 2013-02-20 | cif/ Adding structures of 2237181 via cif-deposit CGI script. |
2237181.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.