Crystallography Open Database

Information card for entry 4308245

Preview

Coordinates	4308245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H36 Ag2 F6 N12 O6 S2
Calculated formula	C56 H36 Ag2 F6 N12 O6 S2
SMILES	FC(F)(F)S(=O)(=O)[O-].n1c2ccccc2[nH]c1c1cc2cc(c1)c1[n]([Ag][n]3c(c4cc(cc(c4)c4[n]([Ag][n]5c2[nH]c2ccccc52)c2ccccc2[nH]4)c2[nH]c4ccccc4n2)[nH]c2ccccc32)c2ccccc2[nH]1.FC(F)(F)S(=O)(=O)[O-]
Title of publication	Zero to Three Dimensional Increase of Silver(I) Coordination Assemblies Controlled by Deprotonation of 1,3,5-Tri(2-benzimidazolyl)benzene and Aggregation of Multinuclear Building Units
Authors of publication	Xiang-Ping Li; Jian-Yong Zhang; Mei Pan; Sheng-Run Zheng; Yu Liu; Cheng-Yong Su
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4617 - 4625
a	9.446 ± 0.0019 Å
b	11.592 ± 0.002 Å
c	12.042 ± 0.002 Å
α	87.87 ± 0.03°
β	85.77 ± 0.03°
γ	83.79 ± 0.03°
Cell volume	1306.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0657
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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