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Information card for entry 8103075
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| Coordinates | 8103075.cif |
|---|---|
| External links | PubChem |
| Chemical name | bis[2'2-(1,2-ethanediyl)bis(1H-benzimidazole)]- dizinc(II) di(2-benzoate-acetate) |
|---|---|
| Formula | C50 H40 N8 O8 Zn2 |
| Calculated formula | C50 H40 N8 O8 Zn2 |
| Title of publication | Crystal structure of bis(homophthalato)-bis[2,2'-(1,2-ethanediyl)bis(1H-benzimidazole)]dizinc(II), Zn2(C9H6O4)2(C16H14N4)2 |
| Authors of publication | Yan Wang; Pu-Hong Wen; Wei-Xing Zhao; Guo-Dong Feng; Luan Jiang; Hong-Bo Jiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 43 |
| a | 9.841 ± 0.005 Å |
| b | 10.638 ± 0.005 Å |
| c | 11.772 ± 0.005 Å |
| α | 72.971 ± 0.005° |
| β | 70.632 ± 0.005° |
| γ | 86.262 ± 0.005° |
| Cell volume | 1111 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71069 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. |
8103075.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. |
8103075.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103075.cif |
| 28978 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103075 via cif-deposit CGI script. |
8103075.cif |
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