Crystallography Open Database

Information card for entry 7119352

7119351 << 7119352 >> 7119353

Preview

Coordinates	7119352.cif
External links	PubChem

Structure parameters

Chemical name	2d
Formula	C47 H43 Ag3 F6 N12 O7 S2
Calculated formula	C47 H43 Ag3 F6 N12 O7 S2
SMILES	[Ag]1[n]2c3N(c4nc(N(c5[n]6[Ag][C]1([Ag][n]1c(cccc1N(C)c1nc(ccc1)N(C)c6ccc5)N(c1nc(N(c2ccc3)C)ccc1)C)#Cc1ccc(OC)cc1)C)ccc4)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	A stepwise bulk-to-cluster-to-particle transformation toward the efficient synthesis of alkynyl-protected silver nanoclusters
Authors of publication	Hui; Guo; Xin; He; Chong-Qing; Wan; Liang; Zhao
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	7723
a	12.88 ± 0.03 Å
b	13.13 ± 0.04 Å
c	15.88 ± 0.04 Å
α	99.38 ± 0.02°
β	90.29 ± 0.03°
γ	101.76 ± 0.06°
Cell volume	2592 ± 12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7119352.cif
189982	2017-01-06	cif/ Adding structures of 7119352 via cif-deposit CGI script.	7119352.cif