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Information card for entry 7023553
Preview
| Coordinates | 7023553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C112 H100 N4 O9 Zn |
|---|---|
| Calculated formula | C112 H100 N4 O9 Zn |
| SMILES | [Zn]123([O]4CCCC4)([O]4CCCC4)n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4c(c5c1ccccc1)c1ccccc1)c1ccc(O)cc1)c(c2c1ccccc1)c1ccccc1)c1ccc(O)cc1)c(c3c1ccccc1)c1ccccc1)c1ccc(O)cc1)c(c6c1ccccc1)c1ccccc1)c1ccc(O)cc1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding. |
| Authors of publication | Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 45 |
| Pages of publication | 16073 - 16079 |
| a | 25.353 ± 0.005 Å |
| b | 11.688 ± 0.003 Å |
| c | 32.746 ± 0.007 Å |
| α | 90° |
| β | 112.406 ± 0.003° |
| γ | 90° |
| Cell volume | 8971 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1976 |
| Weighted residual factors for all reflections included in the refinement | 0.2164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023553.cif |
| 179940 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/35. |
7023553.cif |
| 90567 | 2013-11-18 | cif/ Adding structures of 7023552, 7023553, 7023554, 7023555 via cif-deposit CGI script. |
7023553.cif |
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