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Information card for entry 8102610
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| Coordinates | 8102610.cif |
|---|---|
| External links | PubChem |
| Formula | C40 H42 Cu N8 O12 S2 |
|---|---|
| Calculated formula | C40 H42 Cu N8 O12 S2 |
| Title of publication | Crystal structure of diaquabis(4,4'-pyridine)bis(N-4-acetamidophenylsulfonylglycinato)copper(II), Cu(H2O)2(C10H8N2)2(C10H11N2O5S)2 |
| Authors of publication | Yong-Wei Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 93 |
| a | 9.937 ± 0.002 Å |
| b | 10.537 ± 0.002 Å |
| c | 20.494 ± 0.004 Å |
| α | 90° |
| β | 98.117 ± 0.003° |
| γ | 90° |
| Cell volume | 2124.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1698 |
| Weighted residual factors for all reflections included in the refinement | 0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
8102610.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102610.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. |
8102610.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102610.cif |
| 13349 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102610 via cif-deposit CGI script. |
8102610.cif |
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Users of the data should acknowledge the original authors of the
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