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Information card for entry 8102284
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| Coordinates | 8102284.cif |
|---|
| Formula | C32 H42 Cd N6 O14 S2 |
|---|---|
| Calculated formula | C32 H42 Cd N6 O14 S2 |
| SMILES | [Cd]12([O]=C(O1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)(OC(=O)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)([OH2])[n]1ccccc1c1[n]2cccc1.OCC.O.O |
| Title of publication | Crystal structure of monoaqua-bis(N-p-acetamidobenzenesulfonyl glycinato)(2,2'-bipyridine)cadmium(II) - ethanol - water (1:1:2), [Cd(C10H8N2)(H2O)(C10H11N2O5S)2] · C2H6O · 2H2O |
| Authors of publication | Tian-Xi Wang; Ge Song; Hong-Wei You |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 2 |
| Pages of publication | 160 |
| a | 11.3106 ± 0.0008 Å |
| b | 11.8976 ± 0.0008 Å |
| c | 29.058 ± 0.002 Å |
| α | 90° |
| β | 92.325 ± 0.001° |
| γ | 90° |
| Cell volume | 3907.1 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102284.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102284.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102284.cif |
| 13023 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102284 via cif-deposit CGI script. |
8102284.cif |
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