Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102300
Preview
Coordinates | 8102300.cif |
---|
Formula | C20 H20 N4 O6 S2 |
---|---|
Calculated formula | C20 H20 N4 O6 S2 |
Title of publication | Crystal structure of bis-aminopyridinium 1,5-naphthalenedisulfonate, [(C5H7N2)2][C10H6O6S2] |
Authors of publication | Zi-Liang Wang; Lin-Heng Wei |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2008 |
Journal volume | 223 |
Journal issue | 3 |
Pages of publication | 275 |
a | 7.265 ± 0.002 Å |
b | 8.183 ± 0.004 Å |
c | 9.516 ± 0.003 Å |
α | 111.621 ± 0.012° |
β | 91.835 ± 0.013° |
γ | 96.957 ± 0.013° |
Cell volume | 520.2 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102300.cif |
176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102300.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102300.cif |
13039 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102300 via cif-deposit CGI script. |
8102300.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.