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Information card for entry 4319773
Preview
| Coordinates | 4319773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H10 N4 |
|---|---|
| Calculated formula | C12 H10 N4 |
| SMILES | c1cc(ccn1)/C=N/N=C/c1ccncc1 |
| Title of publication | Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials |
| Authors of publication | Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2825 - 2834 |
| a | 3.856 ± 0.0008 Å |
| b | 11.032 ± 0.002 Å |
| c | 12.738 ± 0.003 Å |
| α | 90° |
| β | 92.21 ± 0.03° |
| γ | 90° |
| Cell volume | 541.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4319773.cif |
| 179277 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/97. |
4319773.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319773.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319773.cif |
| 16574 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319773 via cif-deposit CGI script. |
4319773.cif |
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Users of the data should acknowledge the original authors of the
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