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Information card for entry 2018378
Preview
| Coordinates | 2018378.cif |
|---|---|
| Structure factors | 2018378.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | anilinium dihydrogen phosphate |
|---|---|
| Formula | C6 H10 N O4 P |
| Calculated formula | C6 H10 N O4 P |
| SMILES | [NH3+]c1ccccc1.P(=O)([O-])(O)O |
| Title of publication | Anilinium dihydrogen phosphate |
| Authors of publication | Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o57 - o60 |
| a | 8.804 ± 0.0003 Å |
| b | 10.422 ± 0.0004 Å |
| c | 14.089 ± 0.0006 Å |
| α | 86.418 ± 0.002° |
| β | 75.889 ± 0.0019° |
| γ | 83.016 ± 0.002° |
| Cell volume | 1243.71 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1119 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018378.cif 2018378.hkl |
| 180852 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018378.cif 2018378.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018378.cif 2018378.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2018378.cif 2018378.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018378.cif 2018378.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. | 2018378.cif 2018378.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018378.cif 2018378.hkl |
| 38348 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018378 via cif-deposit CGI script. |
2018378.cif |
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Users of the data should acknowledge the original authors of the
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