Crystallography Open Database

Information card for entry 4002665

Preview

Coordinates	4002665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C210 H175 Au25 Cl2 F6 P10 Sb Se5
Calculated formula	C210 H175 Au25 Cl2 F6 P10 Sb Se5
SMILES	F[Sb](F)(F)(F)(F)[F-].[P]([Au]12345[Au]6789([Au]%10%11%12%13([P](c%14ccccc%14)(c%14ccccc%14)c%14ccccc%14)[Au]%14%15%16%17([P](c%18ccccc%18)(c%18ccccc%18)c%18ccccc%18)[Au]%18%19%201([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]1%21%22%23%24%15[Au]%15%25%26%27%11%14[Au]%11%14%28%296%10[Au]6%10%30%3137[Au]37%322%181[Se](c1ccccc1)[Au]12%18%33%34%32[Au]%32%35%36%37%23%26%14%307([Au]59%13%17%20%22%25%11%103[Au]48%12%16%19Cl)[Au]3457%28([Au]89%10%11([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[Au]%12%13%141([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]1%16%172([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au]2%19%20%22([P](c%23ccccc%23)(c%23ccccc%23)c%23ccccc%23)[Au]%23%2538([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Au]3%27%3242([Se]%15c2ccccc2)[Au]%24%18%351%19([Se]%21c1ccccc1)[Au]%34%377%11%14%17%22%253([Au]%31%33%3659%12[Se]6c1ccccc1)[Au]%10%13%16%20%23Cl)[Se]%29c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters
Authors of publication	Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	8
Pages of publication	2609
a	30.927 ± 0.004 Å
b	26.416 ± 0.003 Å
c	31.341 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	25605 ± 5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182490 (current)	2016-05-04	cif/ Updating files of 4002665, 4002666 Original log message: Adding full bibliography for 4002665--4002666.cif.	4002665.cif
182111	2016-04-15	cif/ Adding structures of 4002665 via cif-deposit CGI script.	4002665.cif