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Information card for entry 4310585
Preview
| Coordinates | 4310585.cif |
|---|---|
| Structure factors | 4310585.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 D4 N4 |
|---|---|
| Calculated formula | C2 D4 N4 |
| Title of publication | Characterization of the Thermally Induced Topochemical Solid-State Transformation of NH4[N(CN)2] into NCNC(NH2)2 by Means of X-ray and Neutron Diffraction as Well as Raman and Solid-State NMR Spectroscopy |
| Authors of publication | Bettina V. Lotsch; Jürgen Senker; Wolfgang Schnick |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 895 - 904 |
| a | 3.73275 ± 0.0001 Å |
| b | 12.31771 ± 0.00029 Å |
| c | 9.13033 ± 0.00027 Å |
| α | 90° |
| β | 91.5962 ± 0.0023° |
| γ | 90° |
| Cell volume | 419.64 ± 0.019 Å3 |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Goodness-of-fit parameter for all reflections | 1.4 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4310585.cif 4310585.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310585.cif 4310585.hkl |
| 179144 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/05. |
4310585.cif 4310585.hkl |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310585.cif 4310585.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. | 4310585.cif 4310585.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310585.cif 4310585.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4310585.cif 4310585.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4310585.cif 4310585.hkl |
| 18336 | 2011-04-28 | hkl/4 A few "vcif"-fixes of hkl files |
4310585.cif 4310585.hkl |
| 18060 | 2011-04-15 | hkl/4/ Fixing syntax in entry 4310585.hkl. |
4310585.cif 4310585.hkl |
| 11745 | 2011-02-17 | Adding a few structure factor files from Inorg. Chem. 2010 |
4310585.cif 4310585.hkl |
| 3840 | 2010-11-25 | hkl/4 Adding a few available hkl files for Inorg. Chem. 2004 structures |
4310585.cif 4310585.hkl |
| 2073 | 2010-11-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4310585 via cif-deposit CGI script. |
4310585.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.