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Information card for entry 7032761
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| Coordinates | 7032761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | H2NDC-NH2 |
|---|---|
| Chemical name | 1-aminonaphthalene-3,7-dicarboxylic acid |
| Formula | C22 H27 N3 O6 |
| Calculated formula | C22 H27 N3 O6 |
| 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 | 7.3194 ± 0.0007 Å |
| b | 10.4461 ± 0.0011 Å |
| c | 14.5397 ± 0.0015 Å |
| α | 90° |
| β | 98.358 ± 0.003° |
| γ | 90° |
| Cell volume | 1099.89 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1321 |
| Residual factor for significantly intense reflections | 0.0886 |
| Weighted residual factors for significantly intense reflections | 0.2015 |
| Weighted residual factors for all reflections included in the refinement | 0.2264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7032761.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. |
7032761.cif |
| 128376 | 2014-12-06 | cif/ Updating files of 7032761, 7032762, 7032763, 7032764 Original log message: Adding full bibliography for 7032761--7032764.cif. |
7032761.cif |
| 124953 | 2014-10-07 | cif/ Adding structures of 7032761, 7032762, 7032763, 7032764 via cif-deposit CGI script. |
7032761.cif |
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