Crystallography Open Database

Information card for entry 4332667

Preview

Coordinates	4332667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Au2 I2 N4 O2 S4
Calculated formula	C36 H56 Au2 I2 N4 O2 S4
SMILES	[I-].[N+](c1ccc(S[Au]([Au](Sc2ccc(cc2)[N+](C)(C)C)Sc2ccc(cc2)[N+](C)(C)C)Sc2ccc([N+](C)(C)C)cc2)cc1)(C)(C)C.O.[I-].O
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	27.775 ± 0.002 Å
b	9.3233 ± 0.0007 Å
c	18.8006 ± 0.0016 Å
α	90°
β	111.644 ± 0.002°
γ	90°
Cell volume	4525.2 ± 0.6 Å³
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179429 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/26.	4332667.cif
98464	2014-01-30	cif/ Adding structures of 4332667 via cif-deposit CGI script.	4332667.cif