Crystallography Open Database

Information card for entry 1558280

Preview

Coordinates	1558280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C208 H104 Au50 F26
Calculated formula	C208 H104 Au50 F26
SMILES	[Au]123456789%10[Au]%11%12%13%14%15%16%17%18%19[Au]%20%21%22%23%24%25%261[Au]1%27%28%29%30%31%322[Au]2%33%34%35%36%37%383[Au]3%39%40%41%42%43%44%454%11[Au]4%11%46%47%48%49%50%13[Au]%13%51%52%53%54%55%56%12%20[Au]%12%20%57%58%59%60%61%62%63%21[Au]%21%64%65%66%67%68%69%701[Au]1%71%72%73%74%2724[Au]24%27%75%76%11%13%12%21[Au]%11%12%13%21%77%46%51[Au]%46%51%78%79%52%202[Au]2%20%52%80%57%644[Au]4%57%64%81%651%27[Au]1%27%65%82%83%84%68%74[Au]%68%74%85%86%87%31%67[Au]%31%67%88%89%90%26%30%59%66[Au]%26%30%597%23%28[Au]7%23%28%666%15%22[Au]6%15%225%143[Au]35%14%919%34%39[Au]9%34%398%29%33%26([Au]8%26%29%32%361%68([Au]1%32%33%37%72%27([Au]%27%36%37%38%43%49%73([Au]%38%47%71%75%11[C]([Au]%76%204[C]%52#[C]%80c4cccc(F)c4)#[C]%38c4cccc(F)c4)[Au]4%11%35%413([Au]81([C]4#[C]%11c1cccc(F)c1)[C]%26#[C]%29c1cccc(F)c1)[Au]1%45([C]%36#[C]%37c3cc(F)ccc3)[Au]348%42%48%27[Au]%11%20%26%16%406([Au]6%18([C]%20#[C]%26c%16cc(F)ccc%16)[Au]%16%18%20%17%24%537([Au]7%17%25%58%31([Au]%24%25%54%60%46%16([Au]%16%63%51([C](#[C]%16[Au]%62%887([Au]7%16%61%692%67[Au]%70%65%74([C]%83#[C]%84c2cccc(c2)F)[C]7#[C]%16c2cc(ccc2)F)[C]%89#[C]%90c2cc(ccc2)F)c2cc(F)ccc2)[C]%78#[C]%79c2cccc(c2)F)[Au]2%55([Au]7%19%50%56%134%11([Au]%123([C]%21#[C]%77c3cc(F)ccc3)[C]8#Cc3cc(F)ccc3)[C]2#[C]7c2cc(ccc2)F)[C]%24#[C]%25c2cccc(c2)F)[Au]%23%18([C]%17#Cc2cc(ccc2)F)[C]%28#[C]%66c2cc(F)ccc2)[C]6#[C]%20c2cc(F)ccc2)[Au]2%44%15([C](#[C]12)c1cccc(F)c1)[C]%22#Cc1cc(ccc1)F)[Au]%57%82([C]%64#[C]%81c1cc(F)ccc1)[C]%32#[C]%33c1cc(ccc1)F)[Au]%859([C]%86#[C]%87c1cccc(c1)F)[C]%34#[C]%39c1cc(F)ccc1)[Au]%105([C]%30#[C]%59c1cccc(F)c1)[C]%14#[C]%91c1cccc(c1)F
Title of publication	Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.
Authors of publication	Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	25
Pages of publication	13346 - 13350
a	17.5491 ± 0.0003 Å
b	38.753 ± 0.0008 Å
c	32.9349 ± 0.001 Å
α	90°
β	91.332 ± 0.002°
γ	90°
Cell volume	22392.3 ± 0.9 Å³
Cell temperature	99.99 ± 0.13 K
Ambient diffraction temperature	99.99 ± 0.13 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2644
Weighted residual factors for all reflections included in the refinement	0.2777
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253933 (current)	2020-07-06	cif/ Updating files of 1558279, 1558280 Original log message: Adding full bibliography for 1558279--1558280.cif.	1558280.cif
253054	2020-06-10	cif/ Adding structures of 1558279, 1558280 via cif-deposit CGI script.	1558280.cif