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Information card for entry 8102663
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| Coordinates | 8102663.cif |
|---|---|
| External links | PubChem |
| Chemical name | diaqua-bis((4,4'-azopyridine)-(2,3-Naphthalenedicarboxylic acid))zinc(II)], Zn(C~12~H~7~O~4~)~2~(C~10~N~4~H~8~)~2~(H~2~O)~2~ |
|---|---|
| Formula | C44 H34 N8 O10 Zn |
| Calculated formula | C44 H34 N8 O10 Zn |
| Title of publication | Crystal structure of diaquabis[(4,4'-azopyridine)-(hydrogen 2,3-naphthalenedicarboxylato))zinc(II)], Zn(H2O)2(C10N4H8)2(C12H7O4)2 |
| Authors of publication | Min Hu; Rui Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 265 |
| a | 7.1739 ± 0.0005 Å |
| b | 10.1771 ± 0.0006 Å |
| c | 13.5367 ± 0.0009 Å |
| α | 91.624 ± 0.005° |
| β | 94.07 ± 0.005° |
| γ | 94.618 ± 0.005° |
| Cell volume | 982.04 ± 0.11 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| 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. |
8102663.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. |
8102663.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102663.cif |
| 13402 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102663 via cif-deposit CGI script. |
8102663.cif |
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Users of the data should acknowledge the original authors of the
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