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Information card for entry 7216478
Preview
| Coordinates | 7216478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Cu3 N6 O9 |
|---|---|
| Calculated formula | C36 H36 Cu3 N6 O9 |
| SMILES | [Cu]12(OC3=[N]4[Cu]5(OC(=[N]24)c2c(O1)cccc2)OC1c2ccccc2O[Cu]2([N]=1[N]5=C(O2)c1c(c2c3cccc2)cccc1)[OH2])[NH]1CCOCC1.O=C(N(C)C)C |
| Title of publication | Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents |
| Authors of publication | Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 42 |
| Pages of publication | 9792 |
| a | 25.985 ± 0.005 Å |
| b | 13.713 ± 0.003 Å |
| c | 24.798 ± 0.005 Å |
| α | 90° |
| β | 112.39 ± 0.03° |
| γ | 90° |
| Cell volume | 8170 ± 3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1692 |
| Weighted residual factors for all reflections included in the refinement | 0.1755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180495 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64. |
7216478.cif |
| 126381 | 2014-11-06 | cif/ Updating files of 7216478, 7216479, 7216480, 7216481, 7216482 Original log message: Adding full bibliography for 7216478--7216482.cif. |
7216478.cif |
| 116346 | 2014-06-10 | cif/ Adding structures of 7216478, 7216479, 7216480, 7216481, 7216482 via cif-deposit CGI script. |
7216478.cif |
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