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Information card for entry 2236302
Preview
Coordinates | 2236302.cif |
---|---|
Structure factors | 2236302.hkl |
Original IUCr paper | HTML |
Chemical name | Diammonium hydrogenarsenate(V) |
---|---|
Formula | As H9 N2 O4 |
Calculated formula | As H9 N2 O4 |
SMILES | [NH4+].[NH4+].O[As](=O)([O-])[O-] |
Title of publication | Redetermination of (NH~4~)~2~HAsO~4~ |
Authors of publication | Weil, Matthias |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 11 |
Pages of publication | i82 |
a | 11.3426 ± 0.0004 Å |
b | 6.8512 ± 0.0003 Å |
c | 8.113 ± 0.0003 Å |
α | 90° |
β | 113.784 ± 0.004° |
γ | 90° |
Cell volume | 576.92 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0317 |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for significantly intense reflections | 0.0512 |
Weighted residual factors for all reflections included in the refinement | 0.0551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181285 (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 2/23/63. |
2236302.cif 2236302.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. |
2236302.cif 2236302.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236302.cif 2236302.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. | 2236302.cif 2236302.hkl |
74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236302.cif 2236302.hkl |
69871 | 2012-12-21 | cif/ Adding structures of 2236302 via cif-deposit CGI script. |
2236302.cif |
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Users of the data should acknowledge the original authors of the
structural data.