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Information card for entry 2233344
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| Coordinates | 2233344.cif |
|---|---|
| Structure factors | 2233344.hkl |
| Original IUCr paper | HTML |
| Common name | 1,1-Dimethylbiguanidium(2+) dinitrate metformin nitrate |
|---|---|
| Chemical name | 1,1-Dimethylbiguanidium(2+) dinitrate |
| Formula | C4 H13 N7 O6 |
| Calculated formula | C4 H13 N7 O6 |
| SMILES | C(=[NH2+])(N)NC(=[NH2+])N(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | 1,1-Dimethylbiguanidium(2+) dinitrate |
| Authors of publication | Fridrichová, Michaela; Císařová, Ivana; Němec, Ivan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o18 - o19 |
| a | 7.785 ± 0.0002 Å |
| b | 5.7313 ± 0.0002 Å |
| c | 26.5321 ± 0.0007 Å |
| α | 90° |
| β | 101.602 ± 0.0015° |
| γ | 90° |
| Cell volume | 1159.63 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233344.cif 2233344.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. |
2233344.cif 2233344.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233344.cif 2233344.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. | 2233344.cif 2233344.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233344.cif 2233344.hkl |
| 32412 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233344 via cif-deposit CGI script. |
2233344.cif |
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Users of the data should acknowledge the original authors of the
structural data.