Crystallography Open Database

Information card for entry 4502948

Preview

Coordinates	4502948.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(para-aminobenzonitrile)silver(I)-methanesulfonate
Chemical name	Bis(para-aminobenzonitrile)silver(I)-methanesulfonate
Formula	C15 H12 Ag F3 N4 O3 S
Calculated formula	C15 H12 Ag F3 N4 O3 S
Title of publication	Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile
Authors of publication	Lamann-Glees, Alexandra; Ruschewitz, Uwe
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	2
Pages of publication	854
a	9.9223 ± 0.0017 Å
b	10.079 ± 0.0017 Å
c	10.9222 ± 0.0018 Å
α	111.266 ± 0.018°
β	111.231 ± 0.018°
γ	90.15 ± 0.02°
Cell volume	937.5 ± 0.3 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	0.0619
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.321
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
179560 (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 4/50/29.	4502948.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502948.cif
37801	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502945, 4502946, 4502947, 4502948 via cif-deposit CGI script.	4502948.cif