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Information card for entry 1549465
Preview
Coordinates | 1549465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C105 H87 Au13 Cu4 N3 P3 Se9 |
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Calculated formula | C105 H87 Au13 Cu4 N3 P3 Se9 |
SMILES | [Au]123456789%10%11[Au]%12%13%14%15[Au]%16%17%181[Au]1%19%20%213[Au]3%222([Au]2%23%246[Au]6%254%12[Au]4%125%13[Au]5%13%267[Au]7%278([Au]8%10%1932[Se]([Cu]2%218([Au]%1157([Au]39%161[Se]([Cu]%12%133([Se]4c1ccccc1)[n]1c([P]%26(c3ccccc3)c3ccccc3)cccc1)c1ccccc1)[Se]2c1ccccc1)[Se]%20c1ccccc1)c1ccccc1)[Se]([Cu]%23%25%27([Se]6c1ccccc1)[n]1c([P]%24(c2ccccc2)c2ccccc2)cccc1)c1ccccc1)[Se]([Cu]%15%17%22([Se]%14c1ccccc1)[n]1c([P]%18(c2ccccc2)c2ccccc2)cccc1)c1ccccc1 |
Title of publication | Single Ligand Exchange on an Au-Cu Bimetal Nanocluster and Mechanism |
Authors of publication | Song, Yongbo; Lv, Ying; Zhou, Meng; Luo, Tian-Yi; Zhao, Shuo; Rosi, Nathaniel L.; Yu, Haizhu; Zhu, Manzhou; Jin, Rongchao |
Journal of publication | Nanoscale |
Year of publication | 2018 |
a | 24.2592 ± 0.0006 Å |
b | 24.2592 ± 0.0006 Å |
c | 74.473 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 37956.2 ± 1.7 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 K |
Number of distinct elements | 7 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.0779 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1777 |
Weighted residual factors for all reflections included in the refinement | 0.2014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
207979 (current) | 2018-05-25 | cif/ Adding structures of 1549465 via cif-deposit CGI script. |
1549465.cif |
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