Crystallography Open Database

Information card for entry 4332669

Preview

Coordinates	4332669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Au4 N8 S4
Calculated formula	C40 H52 Au4 N8 S4
SMILES	c1(ccc(cc1)[N+](C)(C)C)S[Au]([Au]([Au]([Au](Sc1ccc([N+](C)(C)C)cc1)Sc1ccc([N+](C)(C)C)cc1)(C#N)C#N)(C#N)C#N)Sc1ccc(cc1)[N+](C)(C)C
Title of publication	Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]
Authors of publication	Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7671 - 7680
a	18.1364 ± 0.0015 Å
b	32.23 ± 0.003 Å
c	15.6796 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	9165.3 ± 1.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4332669.cif
98466	2014-01-30	cif/ Adding structures of 4332669 via cif-deposit CGI script.	4332669.cif