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Information card for entry 8101699
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| Coordinates | 8101699.cif |
|---|
| Chemical name | bis[diaqua(1,10-phenanthroline)(μ-4-sulfobenzoato)cadmium(II)] |
|---|---|
| Formula | C38 H32 Cd2 N4 O14 S2 |
| Calculated formula | C38 H32 Cd2 N4 O14 S2 |
| Title of publication | Crystal structure of bis[diaqua(1,10-phenanthroline)(μ-4-sulfobenzoato) cadmium(II)], [Cd(H~2~O)~2~(C~12~H~8~N~2~)(C~7~H~4~O~5~S)]~2~ |
| Authors of publication | S.-R. Fan; L.-P. Zhang; H.-P. Xiao; G.-Q. Cai; L.-G. Zhu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 1 |
| Pages of publication | 69 - 70 |
| a | 8.2384 ± 0.0008 Å |
| b | 10.1299 ± 0.0009 Å |
| c | 12.9685 ± 0.0012 Å |
| α | 102 ± 0.002° |
| β | 101.049 ± 0.002° |
| γ | 113.453 ± 0.001° |
| Cell volume | 924.65 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.261 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101699.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. |
8101699.cif |
| 107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101699.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101699.cif |
| 12438 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101699 via cif-deposit CGI script. |
8101699.cif |
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