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Information card for entry 1517144
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| Coordinates | 1517144.cif |
|---|
| Formula | C112 H120 Gd2 N14 O40 S8 |
|---|---|
| Calculated formula | C112 H120 Gd2 N14 O40 S8 |
| SMILES | [Gd]1234([O]=C(NCc5sccc5)c5c(OCC(COc6c(C(=[O][Gd]789([O]=C(NCc%10sccc%10)c%10c(OCC(COc%11c(C(=[O]1)NCc1sccc1)cccc%11)(COc1c(C(=O)NCc%11sccc%11)cccc1)COc1c(C(=O)NCc%11sccc%11)cccc1)cccc%10)([O]=N(=O)O7)([O]=N(=O)O8)(ON(=[O]9)=O)[OH]C)NCc1sccc1)cccc6)(COc1ccccc1C(=O)NCc1sccc1)COc1c(C(=O)NCc6sccc6)cccc1)cccc5)([O]=N(=O)O2)([O]=N(=O)O3)(ON(=[O]4)=O)[OH]C.OC.OC.OC.OC |
| Title of publication | Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand |
| Authors of publication | Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 402 |
| Pages of publication | 156 - 164 |
| a | 13.0234 ± 0.0014 Å |
| b | 15.195 ± 0.0015 Å |
| c | 18.3246 ± 0.0019 Å |
| α | 99.733 ± 0.002° |
| β | 103.073 ± 0.002° |
| γ | 115.144 ± 0.003° |
| Cell volume | 3049.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517144.cif |
| 120411 | 2014-07-15 | cif/ Adding structures of 1517144 via cif-deposit CGI script. |
1517144.cif |
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Users of the data should acknowledge the original authors of the
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