Crystallography Open Database

Information card for entry 4500377

Preview

Coordinates	4500377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 Ag2 F6 N6 O10 S2
Calculated formula	C36 H22 Ag2 F6 N6 O10 S2
SMILES	c1cc2cc[n]1[Ag][n]1ccc(C(=O)c3nc(C(=O)c4cc[n](cc4)[Ag][n]4ccc(C(=O)c5nc(C2=O)ccc5)cc4)ccc3)cc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
Title of publication	Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone
Authors of publication	Wan, Chong-Qing; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	3
Pages of publication	832
a	30.277 ± 0.005 Å
b	7.0619 ± 0.0013 Å
c	20.801 ± 0.004 Å
α	90°
β	117.585 ± 0.003°
γ	90°
Cell volume	3942 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0478
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179534 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03.	4500377.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500377.cif
34473	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500372, 4500373, 4500374, 4500375, 4500376, 4500377, 4500378 via cif-deposit CGI script.	4500377.cif