Crystallography Open Database

Information card for entry 1549977

Preview

Coordinates	1549977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H288 Ag51.08 O0
Calculated formula	C192 H288 Ag51.06
Title of publication	An atomically precise all-tert-butylethynide-protected Ag<sub>51</sub> superatom nanocluster with color tunability.
Authors of publication	Duan, Guang-Xiong; Tian, Lin; Wen, Jun-Bo; Li, Lan-Yun; Xie, Yun-Peng; Lu, Xing
Journal of publication	Nanoscale
Year of publication	2018
Journal volume	10
Journal issue	40
Pages of publication	18915 - 18919
a	19.4375 ± 0.0012 Å
b	19.5121 ± 0.0011 Å
c	19.5367 ± 0.0013 Å
α	100.446 ± 0.002°
β	113.716 ± 0.002°
γ	102.272 ± 0.002°
Cell volume	6327.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1575
Residual factor for significantly intense reflections	0.1318
Weighted residual factors for significantly intense reflections	0.3098
Weighted residual factors for all reflections included in the refinement	0.3329
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.6525 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230153 (current)	2019-11-17	cif/ Updating files of 1549977 Original log message: Adding full bibliography for 1549977.cif.	1549977.cif
211097	2018-09-21	cif/ Adding structures of 1549977 via cif-deposit CGI script.	1549977.cif