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Information card for entry 1505749
Preview
| Coordinates | 1505749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H26 Cu N O3.5 |
|---|---|
| Calculated formula | C19 H26 Cu N O3.5 |
| Title of publication | Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest. |
| Authors of publication | Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 42 |
| Pages of publication | 21365 - 21370 |
| a | 18.972 ± 0.001 Å |
| b | 14.075 ± 0.001 Å |
| c | 15.806 ± 0.001 Å |
| α | 90° |
| β | 114.051 ± 0.002° |
| γ | 90° |
| Cell volume | 3854.3 ± 0.4 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505749.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505749.cif |
| 47698 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505749 via cif-deposit CGI script. |
1505749.cif |
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Users of the data should acknowledge the original authors of the
structural data.