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Information card for entry 8102303
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| Coordinates | 8102303.cif |
|---|---|
| External links | PubChem |
| Formula | C19 H19 Cu N3 O5 |
|---|---|
| Calculated formula | C19 H19 Cu N3 O5 |
| SMILES | [Cu]12(OC(=O)C)(OC(=O)C)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O |
| Title of publication | Crystal structure of (2,2':6',2''-terpyridine)copper(II)diacetate monohydrate, [Cu(C15H11N3)](O2CCH3)2 · H2O |
| Authors of publication | Cui-Qiao Zhang; Feng Fu; Yi-Xia Ren; Xiao-Ming Gao; Ji-Wu Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 283 |
| a | 15.644 ± 0.01 Å |
| b | 44.19 ± 0.03 Å |
| c | 11.027 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7623 ± 9 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
8102303.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. |
8102303.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. |
8102303.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102303.cif |
| 13042 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102303 via cif-deposit CGI script. |
8102303.cif |
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