Crystallography Open Database

Information card for entry 4117467

Preview

Coordinates	4117467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H126 Ag14 Cl2
Calculated formula	C96 H126 Ag14 Cl2
SMILES	C1(CCCCC1)C#[C]12[Ag]3[C]4([Ag]5[C]6([Ag]7[C]8(#CC9CCCCC9)[Ag]([C]3([Ag]6)#CC3CCCCC3)[C]([Ag]2)([Ag]2[C]3([Ag]1[C]([Ag]1[C](#CC6CCCCC6)([Ag]([C]7([Ag][C]51#CC1CCCCC1)#CC1CCCCC1)[C]2([Ag]8)#CC1CCCCC1)[Ag]3)([Ag]4)#CC1CCCCC1)#CC1CCCCC1)#CC1CCCCC1)#CC1CCCCC1)#CC1CCCCC1.[Cl-].[Cl-]
Title of publication	Enlargement of Globular Silver Alkynide Cluster via Core Transformation
Authors of publication	Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	2922 - 2925
a	24.4626 ± 0.0014 Å
b	24.4626 ± 0.0014 Å
c	14.0339 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7273 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178945 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/74.	4117467.cif
74566	2013-03-01	cif/ Adding structures of 4117467 via cif-deposit CGI script.	4117467.cif