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Information card for entry 8103094
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| Coordinates | 8103094.cif |
|---|---|
| External links | PubChem |
| Chemical name | aqua[ o-acetamidobenzoic acid-k2:O:O2] Bis [1,10-phenanthroline -k2:N1:N2]Copper(II) Complex, [Cu(1,10-phen) (C9H8O3N)2] |
|---|---|
| Formula | C30 H24 Cu N4 O6 |
| Calculated formula | C30 H24 Cu N4 O6 |
| Title of publication | Crystal structure of bis(o-acetamidobenzoato-κ2:O:O2)-(1,10-phenanthroline-κ2:N1:N2)copper(II), Cu(C12H8N2)(C9H8NO3)2 |
| Authors of publication | Xiong-Wen Tan; Changhong Li; Xue Nie; Wei Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 69 |
| a | 11.882 ± 0.004 Å |
| b | 11.182 ± 0.003 Å |
| c | 20.282 ± 0.007 Å |
| α | 90° |
| β | 103.871 ± 0.002° |
| γ | 90° |
| Cell volume | 2616.2 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
8103094.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. |
8103094.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103094.cif |
| 29016 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103094 via cif-deposit CGI script. |
8103094.cif |
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