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Information card for entry 7035877
Preview
| Coordinates | 7035877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H52 Br6 N4 O18 Sm2 |
|---|---|
| Calculated formula | C72 H52 Br6 N4 O18 Sm2 |
| SMILES | C1(c2c(ccc(c2)OC)Br)=[O][Sm]23456([n]7cccc8c7c7[n]2cccc7cc8)([O]2C(=[O][Sm]782(O1)([n]1cccc2c1c1[n]7cccc1cc2)([O]=C(c1c(ccc(c1)OC)Br)O4)([O]5C(=[O]6)c1c(Br)ccc(OC)c1)[O]=C(O8)c1c(Br)ccc(OC)c1)c1c(Br)ccc(c1)OC)[O]=C(O3)c1c(Br)ccc(c1)OC |
| Title of publication | Preparation, characterization and properties of four new trivalent lanthanide complexes constructed using 2-bromine-5-methoxybenzoic acid and 1,10-phenanthroline. |
| Authors of publication | Zong, Guang-Cai; Huo, Jian-Xia; Ren, Ning; Zhang, Jian-Jun; Qi, Xiao-Xia; Gao, Jie; Geng, Li-Na; Wang, Shu-Ping; Shi, Shi-Kao |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 14877 - 14886 |
| a | 12.4625 ± 0.0011 Å |
| b | 13.2328 ± 0.0012 Å |
| c | 13.5772 ± 0.0014 Å |
| α | 60.842 ± 0.001° |
| β | 69.776 ± 0.001° |
| γ | 71.198 ± 0.002° |
| Cell volume | 1802.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1749 |
| Residual factor for significantly intense reflections | 0.0974 |
| Weighted residual factors for significantly intense reflections | 0.1717 |
| Weighted residual factors for all reflections included in the refinement | 0.2596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7035877.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035877.cif |
| 161758 | 2015-10-09 | cif/ Updating files of 7035874, 7035875, 7035876, 7035877 Original log message: Adding full bibliography for 7035874--7035877.cif. |
7035877.cif |
| 152316 | 2015-07-21 | cif/ Adding structures of 7035874, 7035875, 7035876, 7035877 via cif-deposit CGI script. |
7035877.cif |
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Users of the data should acknowledge the original authors of the
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