Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7205830
Preview
| Coordinates | 7205830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H144 I22 N12 O2 Pb6 |
|---|---|
| Calculated formula | C96 H144 I22 N12 O2 Pb6 |
| SMILES | [Pb]12(I)(I)(I)[I][Pb]345([I]1[Pb]1([I]2)(I)(I)[I]3[Pb]23([I][Pb]6(I)(I)(I)[I]2[Pb]([I]4)([I]6)(I)(I)[I]53)([I]1)I)I.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.CN(C)C=O.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.N(C)(C)C=O |
| Title of publication | Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties |
| Authors of publication | Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2571 |
| a | 15.7586 ± 0.001 Å |
| b | 13.6737 ± 0.0009 Å |
| c | 33.957 ± 0.002 Å |
| α | 90° |
| β | 100.383 ± 0.001° |
| γ | 90° |
| Cell volume | 7197.2 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.131 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7205830.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205830.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205830.cif |
| 21024 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205829, 7205830, 7205831, 7205832 via cif-deposit CGI script. |
7205830.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.