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Information card for entry 7032764
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| Coordinates | 7032764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | H2NDC-NO2 |
|---|---|
| Chemical name | 1-Nitronaphthlanene-3,7-dicarboxylic acid |
| Formula | C15 H14 N2 O7 |
| Calculated formula | C15 H14 N2 O7 |
| SMILES | O=C(O)c1cc2ccc(cc2c(N(=O)=O)c1)C(=O)O.O=CN(C)C |
| Title of publication | Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers. |
| Authors of publication | Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 48 |
| Pages of publication | 18017 - 18024 |
| a | 23.991 ± 0.005 Å |
| b | 5.746 ± 0.001 Å |
| c | 21.791 ± 0.004 Å |
| α | 90° |
| β | 106.07 ± 0.03° |
| γ | 90° |
| Cell volume | 2886.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.177 |
| Weighted residual factors for all reflections included in the refinement | 0.2108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032764.cif |
| 192777 | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
7032764.cif |
| 180033 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032764.cif |
| 128376 | 2014-12-06 | cif/ Updating files of 7032761, 7032762, 7032763, 7032764 Original log message: Adding full bibliography for 7032761--7032764.cif. |
7032764.cif |
| 124953 | 2014-10-07 | cif/ Adding structures of 7032761, 7032762, 7032763, 7032764 via cif-deposit CGI script. |
7032764.cif |
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Users of the data should acknowledge the original authors of the
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