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Information card for entry 8103188
Preview
| Coordinates | 8103188.cif |
|---|---|
| External links | PubChem |
| Chemical name | mono(1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole)-bis(1,10-phenanthroline) copper(II) tetrachlorate— methanol(1:1.5)[Cu(C~8~H~5~N~4~O~2~S)(C~12~H~8~N~2~)~2~]][ClO~4~].1.5CH~3~OH |
|---|---|
| Formula | C33.5 H27 Cl Cu N8 O7.5 S |
| Calculated formula | C33.5 H27 Cl Cu N8 O7.5 S |
| Title of publication | Crystal structure of [1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole]-bis(1,10-phenanthroline)copper(II) perchlorate — methanol (1:1.5), [Cu(C8H5N4O2S)(C12H8N2)2][ClO4] • 1.5CH3OH |
| Authors of publication | Jing Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 4 |
| Pages of publication | 491 |
| a | 9.4707 ± 0.0008 Å |
| b | 12.4239 ± 0.0008 Å |
| c | 16.9518 ± 0.0011 Å |
| α | 97.342 ± 0.005° |
| β | 103.227 ± 0.006° |
| γ | 110.257 ± 0.007° |
| Cell volume | 1774.2 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| 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. |
8103188.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103188.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103188.cif |
| 32531 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103188 via cif-deposit CGI script. |
8103188.cif |
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