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Information card for entry 4321991
Preview
| Coordinates | 4321991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | {[Zn2(3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine)2(NO3)4(MeOH)2 (mu-3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine)]}n |
|---|---|
| Formula | C19 H16 N11 O7 Zn |
| Calculated formula | C19 H16 N11 O7 Zn |
| Title of publication | Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers |
| Authors of publication | Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 2259 - 2266 |
| a | 7.535 ± 0.001 Å |
| b | 10.728 ± 0.001 Å |
| c | 15.219 ± 0.002 Å |
| α | 85.36 ± 0.01° |
| β | 80.63 ± 0.01° |
| γ | 69.34 ± 0.01° |
| Cell volume | 1135.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for all reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.0633 |
| Goodness-of-fit parameter for all reflections | 1.085 |
| Goodness-of-fit parameter for significantly intense reflections | 1.085 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4321991.cif |
| 205229 | 2018-01-15 | cif/4/32/19/ Setting the value of '_diffrn_ambient_temperature' to '150' for 4321988 and 4321991 as per original publication. |
4321991.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4321991.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321991.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321991.cif |
| 19880 | 2011-05-30 | ../uploads/cif-deposit/cod/cif Adding structures of 4321991 via cif-deposit CGI script. |
4321991.cif |
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