Crystallography Open Database

Information card for entry 8000252

Preview

Coordinates	8000252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H275 Au43 S25
Calculated formula	C150 H259 Au43 S25
SMILES	[Au]12345[Au]6789[Au]%10%11%12%13[Au]%14%15%16%17[Au]%18%19%20%21[Au]%22%23%24%14[Au]%14%25%26%27[Au]%28%29%30%31[Au]%32%33%34%35[Au]%36%37%38[Au]%39%40%28%32[Au]%28%24%27([Au]%24%23%14%33[Au]%14%23%27%32[Au]%33%413%22[Au]3%22%422[Au]%15%18([Au]([S]%42C2CCCCC2)[S]([Au]%16([Au]2%15%16%21[Au]%18%10%19[Au]%2032[S]([Au]23[Au]%1016([Au]49([Au]14%25%29[Au]67%11([Au]8%12[S]([Au]%28([Au]7%26%301[Au]([S]7C1CCCCC1)[S]6C1CCCCC1)[S]%40C1CCCCC1)C1CCCCC1)[Au]%10([S]%18C1CCCCC1)[S]4C1CCCCC1)([Au]1%24%23([Au]5%33%222[S]([Au][S]([Au]%27([Au]%34%36%141[S]([Au]%37[S]([Au]%39[S]%31C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]%38C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]3C1CCCCC1)[S]%35C1CCCCC1)[S]([Au][S]([Au]%15[S]%16C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]%13C1CCCCC1)C1CCCCC1)[S]([Au]%41[S]%32C1CCCCC1)C1CCCCC1)[S]([Au][S]%17C1CCCCC1)C1CCCCC1
Title of publication	Two-Way Transformation between fcc- and Nonfcc-Structured Gold Nanoclusters.
Authors of publication	Dong, Hongwei; Liao, Lingwen; Wu, Zhikun
Journal of publication	The journal of physical chemistry letters
Year of publication	2017
Journal volume	8
Journal issue	21
Pages of publication	5338 - 5343
a	21.2829 ± 0.0007 Å
b	21.539 ± 0.0007 Å
c	28.6908 ± 0.001 Å
α	99.7673 ± 0.0017°
β	111.114 ± 0.0014°
γ	105.563 ± 0.0015°
Cell volume	11288.6 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	119.99 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3605
Residual factor for significantly intense reflections	0.1402
Weighted residual factors for significantly intense reflections	0.3168
Weighted residual factors for all reflections included in the refinement	0.3924
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000252.cif
202770	2017-11-07	cif/ Updating files of 8000252 Original log message: Adding full bibliography for 8000252.cif.	8000252.cif
202152	2017-10-20	cif/ Adding structures of 8000252 via cif-deposit CGI script.	8000252.cif