Crystallography Open Database

Information card for entry 1546258

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Coordinates	1546258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C199 H154 Ag19 Cl10 F18 P6 Sb3
Calculated formula	C199 H154 Ag19 Cl10 F18 P6 Sb3
SMILES	[Ag]12345[Ag]6789%10[Ag]%11%12%131[Ag]126([C]2([Ag]6[Ag]%14%15[Ag]%16%17%18[Ag]%19([Ag]%20%21[Ag]%22%23[P](C[P]([Ag]([C]%12([Ag]%12[Ag]%24%25[Ag]2([P](C[P]([Ag]2[C]%24([Ag]%24%263([Ag]34([Ag]5%24([C]%20%23#Cc4ccccc4)([C]%17%19#Cc4ccccc4)[C]%263#Cc3ccccc3)([C]%14%18#Cc3ccccc3)[C]62#Cc2ccccc2)[C]%22%12#Cc2ccccc2)#Cc2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[C]%11%25#Cc2ccccc2)#Cc2ccccc2)[C]%10%21#Cc2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[C]8([Ag]([P](C[P]%16(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[C]1%15#Cc1ccccc1)#[C]9c1ccccc1)#Cc1ccccc1)[C]7%13#Cc1ccccc1.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)([F-])(F)(F)F.[Sb](F)(F)(F)(F)([F-])F.Cc1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel
Authors of publication	Yuan, Shang-Fu; Li, Pei; Tang, Qing; Wan, Xian-Kai; Nan, Zi-Ang; Jiang, De-en; Wang, Quan-Ming
Journal of publication	Nanoscale
Year of publication	2017
a	17.6377 ± 0.0002 Å
b	25.6594 ± 0.0002 Å
c	43.3649 ± 0.0005 Å
α	90°
β	90.376 ± 0.001°
γ	90°
Cell volume	19625.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1029
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
197555 (current)	2017-06-06	cif/ Adding structures of 1546258, 1546259 via cif-deposit CGI script.	1546258.cif