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Information card for entry 4302117
Preview
| Coordinates | 4302117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C18 H16 N6 O2 |
|---|---|
| Calculated formula | C18 H16 N6 O2 |
| SMILES | c1c(cc2ccc3cc(cnc3c2n1)n1cncc1)n1cncc1.O.O |
| Title of publication | Alteration of Molecular Conformations, Coordination Modes, and Architectures for a Novel 3,8-Diimidazol-1,10-phenanthroline Compound in the Construction of Cadmium(II) and Zinc(II) Homochiral Coordination Polymers Involving an Auxiliary Chiral Camphorate Ligand |
| Authors of publication | Li Wang; Wei You; Wei Huang; Cheng Wang; Xiao-Zeng You |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 4295 - 4305 |
| a | 7.1935 ± 0.001 Å |
| b | 8.4279 ± 0.0011 Å |
| c | 14.0808 ± 0.0019 Å |
| α | 87.277 ± 0.002° |
| β | 81.357 ± 0.001° |
| γ | 73.104 ± 0.002° |
| Cell volume | 807.53 ± 0.19 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1047 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.783 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4302117.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4302117.cif |
| 179059 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/21. |
4302117.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302117.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302117.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4302117.cif |
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