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Information card for entry 7218525
Preview
| Coordinates | 7218525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 Cd Cl2 N10 O |
|---|---|
| Calculated formula | C48 H36 Cd Cl2 N10 O |
| SMILES | C(#N)c1ccc(cc1)Cn1c2ccccc2[n]2c1C[N]13Cc4n(Cc5ccc(C#N)cc5)c5ccccc5[n]4[Cd]23([n]2c3c(cccc3)n(Cc3ccc(C#N)cc3)c2C1)(Cl)Cl.O |
| Title of publication | Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration |
| Authors of publication | Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 546 |
| a | 33.9556 ± 0.0012 Å |
| b | 12.561 ± 0.0005 Å |
| c | 25.2278 ± 0.0008 Å |
| α | 90° |
| β | 123.31 ± 0.001° |
| γ | 90° |
| Cell volume | 8992.3 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211178 (current) | 2018-09-26 | cif/ Removing the _chemical_name_systematic data item in entries 1540561, 1547197, 4028349, 4342144, 7041210, 7121498, 7218525 since the values referred to the monoclinic crystal system and not the chemical name. |
7218525.cif |
| 180516 | 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 7/21/85. |
7218525.cif |
| 133182 | 2015-03-06 | cif/ Updating files of 7218524, 7218525, 7218526 Original log message: Adding full bibliography for 7218524--7218526.cif. |
7218525.cif |
| 125524 | 2014-10-18 | cif/ Adding structures of 7218524, 7218525, 7218526 via cif-deposit CGI script. |
7218525.cif |
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