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Information card for entry 2240101
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| Coordinates | 2240101.cif |
|---|---|
| Structure factors | 2240101.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate |
|---|---|
| Formula | C4 H32 N2 Ni O16 S2 |
| Calculated formula | C4 H32 N2 Ni O16 S2 |
| SMILES | C[NH2+]C.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].O.C[NH2+]C.[O-]S(=O)(=O)[O-].O |
| Title of publication | Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate |
| Authors of publication | Held, Peter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 403 - 405 |
| a | 8.9363 ± 0.0006 Å |
| b | 13.237 ± 0.0008 Å |
| c | 16.481 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1949.5 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1164 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240101.cif 2240101.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240101.cif 2240101.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240101.cif 2240101.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240101.cif 2240101.hkl |
| 125883 | 2014-10-26 | cif/ hkl/ Adding structures of 2240101 via cif-deposit CGI script. |
2240101.cif 2240101.hkl |
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Users of the data should acknowledge the original authors of the
structural data.