Crystallography Open Database

Information card for entry 4002666

Preview

Coordinates	4002666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C234 H195 Au25 B Cl2 F6 P10 Sb Se5
Calculated formula	C234 H195 Au25 B Cl2 F6 P10 Sb Se5
SMILES	[Au]12345([Au]6789([Au]%10%11%12%13([Au]%14%15%16%17([Au]%18%19%201([Au]1%21%22%23%24%15[Au]%15%25%26%27%11%14[Au]%11%14%28%297%10[Au]7%10%30%3126[Au]26%323%181[Au]13%18%33%34([Au]%35%36%37%387([Au]7%39%40%41%11([Au]%11%42%43%44%15([Au]%15%45%46%211([Au]1%21%47%42([Au]%42%48%39%11([Au]%11%39%357([Au]7%35%18%36([Au]%183%151([Au]%34%38%41%44%46%21%42%117([Au]%23%26%28%306%33%37%40%43%45[Au]59%13%17%20%22%25%14%102[Au]48%12%16%19Cl)[Au]%47%48%39%35%18Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Se]%24c1ccccc1)[Se]%27c1ccccc1)[Se]%29c1ccccc1)[Se]%31c1ccccc1)[Se]%32c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F
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	27.378 ± 0.002 Å
b	29.361 ± 0.002 Å
c	40.7368 ± 0.0016 Å
α	90°
β	133.273 ± 0.002°
γ	90°
Cell volume	23842 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	9
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	0.0564
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	4002666.cif
182112	2016-04-15	cif/ Adding structures of 4002666 via cif-deposit CGI script.	4002666.cif